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

Precursor Taxonomy

PrecursorFamilyClassSub-class
MentholTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
MentholPeppermintHerbs and Spices PublicationsShow

Metabolism

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