Identification

PhytoHub ID
PHUB001026
Name
Verbenol (trans-)
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
verbenol
InChI Key
WONIGEXYPVIKFS-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3
SMILES
CC1=CC(O)C2CC1C2(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.51e+00 g/l
LogS (ALOGPS)
-1.64
LogP (ALOGPS)
2.07
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
0
Polar Surface Area
20.23
Refractivity
46.160799999999995
Polarizability
18.034253803250834
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.229259008687073
pKa (strongest acidic)
18.58834245842004
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Precursor Taxonomy

PrecursorFamilyClassSub-class
Pinene-alphaTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Prenol lipids
Super-class
Lipids and lipid-like molecules
Sub-class
Monoterpenoids
Direct Parent Name
Bicyclic monoterpenoids
Alternative Parent Names
["Hydrocarbon derivatives", "Secondary alcohols"]
External Descriptor Annotations
["a monoterpenol", "an insect hormone"]
Substituent Names
["Alcohol", "Aliphatic homopolycyclic compound", "Bicyclic monoterpenoid", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Pinane monoterpenoid", "Secondary alcohol"]

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Pinene-alpha Verbenol (trans-)rabbiturine (major)Not AvailableC10H16O152.120115135 Publications
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