NAV

Triethoxycaprylylsilane

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Triethoxycaprylylsilane
DrugBank Accession Number
DB11267
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 276.492
Monoisotopic: 276.212071425
Chemical Formula
C14H32O3Si
Synonyms
  • Caprylyltriethoxysilane
  • n-Octyltriethoxysilane
  • Octyl(triethoxy)silane
  • Octyltriethoxysilane
  • Triethoxyoctylsilane
External IDs
  • A 137
  • Y 9187
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Isaknox Ageless Serum Blemish BalmTriethoxycaprylylsilane (0.12 mL/100mL) + Aluminum hydroxide (0.12 mL/100mL) + Atractylodes lancea root (0.05 mL/100mL) + Octinoxate (5 mL/100mL) + Titanium dioxide (5.76 mL/100mL)CreamTopicalLG Household and Healthcare, Inc.2010-08-24Not applicableUS flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
Kingdom
Organic compounds
Super Class
Organometallic compounds
Class
Organometalloid compounds
Sub Class
Organosilicon compounds
Direct Parent
Trialkoxysilanes
Alternative Parents
Silyl ethers / Organoheterosilanes / Organic metalloid salts / Organooxygen compounds / Hydrocarbon derivatives
Substituents
Aliphatic acyclic compound / Hydrocarbon derivative / Organic metalloid salt / Organic oxygen compound / Organic salt / Organoheterosilane / Organooxygen compound / Silyl ether / Trialkoxysilane
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
LDC331P08E
CAS number
2943-75-1
InChI Key
MSRJTTSHWYDFIU-UHFFFAOYSA-N
InChI
InChI=1S/C14H32O3Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h5-14H2,1-4H3
IUPAC Name
triethoxy(octyl)silane
SMILES
CCCCCCCC[Si](OCC)(OCC)OCC

References

General References
Not Available
ChemSpider
68741
RxNav
1310586
ChEBI
136012
ChEMBL
CHEMBL3185786
ZINC
ZINC000169743188

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CreamTopical
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000822 mg/mLALOGPS
logP5.89ALOGPS
logP4.42Chemaxon
logS-5.5ALOGPS
pKa (Strongest Basic)-3.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area27.69 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity73.11 m3·mol-1Chemaxon
Polarizability34.01 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - EI-BGC-MSsplash10-03di-0900000000-221a37e3aa875b4a302e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-1490000000-f8b511e159e485c4a6b2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004r-1690000000-077e91627f704896c9c3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05mk-9320000000-43ee6bb87340ca512a46
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-3950000000-ad5ab1bc1cd07de2b789
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-054p-9000000000-c367535dc721c0d27698
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000e-9300000000-12b9a08449394616c12e
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-180.8157846
predicted
DarkChem Lite v0.1.0
[M+H]+181.1823846
predicted
DarkChem Lite v0.1.0
[M+Na]+181.3404846
predicted
DarkChem Lite v0.1.0

Drug created at December 03, 2015 16:51 / Updated at June 12, 2020 16:53