Identification

PhytoHub ID
PHUB001019
Name
Menthane-3,9-diol (p-)
Systematic Name
Not Available
Synonyms
  • 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CAS Number
Not Available
Average Mass
172.268
Monoisotopic Mass
172.146329884
Chemical Formula
C10H20O2
IUPAC Name
2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
InChI Key
BINZTUGHCIRHLP-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H20O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7-12H,3-6H2,1-2H3
SMILES
CC(CO)C1CCC(C)CC1O
Structure

Calculated Properties

Solubility (ALOGPS)
9.55e+00 g/l
LogS (ALOGPS)
-1.26
LogP (ALOGPS)
1.60
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
40.46
Refractivity
49.29699999999999
Polarizability
20.59664061989195
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.5944786809481135
pKa (strongest acidic)
14.81958972042942
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
MentholTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

PrecursorFood SourceFood Source Group
MentholPeppermintHerbs and Spices PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Menthol Menthane-3,9-diol (p-)raturineNot AvailableNot AvailableNot AvailableNot AvailableC10H20O2172.146329884 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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