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Identification
Name Tetrahydropyran
Accession Number DB02412 (EXPT02719)
Type small molecule
Groups experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number 142-68-7
Weight Average: 86.1323
Monoisotopic: 86.073164942
Chemical Formula C5H10O
InChI Key InChIKey=DHXVGJBLRPWPCS-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2
Plain Text
IUPAC Name
oxane
SMILES
C1CCOCC1
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
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
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties
Property Value Source
melting point -45 °C PhysProp
boiling point 88 °C PhysProp
water solubility 8.02E+004 mg/L (at 25 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992)
logP 0.95 HANSCH,C ET AL. (1995)
Predicted Properties
Property Value Source
water solubility 3.81e+01 g/l ALOGPS
logP 1.16 ALOGPS
logP 0.97 ChemAxon
logS -0.35 ALOGPS
pKa (strongest basic) -4.1 ChemAxon
physiological charge 0 ChemAxon
hydrogen acceptor count 1 ChemAxon
hydrogen donor count 0 ChemAxon
polar surface area 9.23 ChemAxon
rotatable bond count 0 ChemAxon
refractivity 25.15 ChemAxon
polarizability 10.02 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Compound C15345 Link_out
PubChem Compound 8894 Link_out
PubChem Substance 46506602 Link_out
ChemSpider 8554 Link_out
HET PYE Link_out
Wikipedia http://en.wikipedia.org/wiki/Tetrahydropyran Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:21