Metabolite Uroterpenol

Name
Uroterpenol
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 170.252
Monoisotopic: 170.13067982
Chemical Formula
C10H18O2
InChI Key
ZJALAEQNHJQSTN-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11-12H,4-7H2,1-2H3
IUPAC Name
2-(4-methylcyclohex-3-en-1-yl)propane-1,2-diol
SMILES
CC1=CCC(CC1)C(C)(O)CO
Reactions
External Links
ChemSpider
83977
Predicted Properties
PropertyValueSource
Water Solubility16.8 mg/mLALOGPS
logP1.54ALOGPS
logP1.13ChemAxon
logS-1ALOGPS
pKa (Strongest Acidic)13.87ChemAxon
pKa (Strongest Basic)-3.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area40.46 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity50.01 m3·mol-1ChemAxon
Polarizability20.03 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon