Metabolite Uroterpenol

Name
Uroterpenol
Description
Not Available
Structure
Similar Structures
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
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