Identification

PhytoHub ID
PHUB001012
Name
Menthane (3-Hydroxy-p-, 7-carboxylic acid)
Synonyms
  • 2-[3-hydroxy-4-(propan-2-yl)cyclohexyl]acetic acid
CAS Number
Not Available
Average Mass
186.251
Monoisotopic Mass
186.12559444
Chemical Formula
C10H18O3
IUPAC Name
3-hydroxy-4-isopropylcyclohexane-1-carboxylic acid
InChI Key
PSJWHBLMRRRGQW-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H18O3/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h6-9,11H,3-5H2,1-2H3,(H,12,13)
SMILES
CC(C)C1CCC(CC1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.24e+01 g/l
LogS (ALOGPS)
-1.18
LogP (ALOGPS)
1.18
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
57.53
Refractivity
49.136599999999994
Polarizability
20.745280562964872
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.836856993132443
pKa (strongest acidic)
4.750389977075616
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Precursor Taxonomy

PrecursorFamilyClassSub-class
MentholTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
MentholPeppermintHerbs and Spices PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Menthol Menthane (3-Hydroxy-p-, 7-carboxylic acid)raturineC10H18O3186.12559444 Publications
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