Identification

PhytoHub ID
PHUB000964
Name
m-mentha-4,6-dien-8-ol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
2-(3-methylcyclohexa-1,3-dien-1-yl)propan-2-ol
InChI Key
RVGIOKDRILNWNO-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O/c1-8-5-4-6-9(7-8)10(2,3)11/h5,7,11H,4,6H2,1-3H3
SMILES
CC1=CCCC(=C1)C(C)(C)O
Structure

Calculated Properties

Solubility (ALOGPS)
2.65e+00 g/l
LogS (ALOGPS)
-1.76
LogP (ALOGPS)
2.62
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
49.2349
Polarizability
18.354815786827547
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.2377164981141016
pKa (strongest acidic)
18.569006634398487
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Precursor Taxonomy

PrecursorFamilyClassSub-class
CareneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Prenol lipids
Super-class
Lipids and lipid-like molecules
Sub-class
Monoterpenoids
Direct Parent Name
Monocyclic monoterpenoids
Alternative Parent Names
["Hydrocarbon derivatives", "Tertiary alcohols"]
External Descriptor Annotations
Not Available
Substituent Names
["Alcohol", "Aliphatic homomonocyclic compound", "Hydrocarbon derivative", "Monocyclic monoterpenoid", "Organic oxygen compound", "Organooxygen compound", "Tertiary alcohol"]

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
CareneGrape wineBeverages, Alcoholic PublicationsShow
CareneMandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow
CarenePepperHerbs and Spices PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Carene m-mentha-4,6-dien-8-olrabbiturine (major)Not AvailableC10H16O152.120115135 Publications
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