Menthane-1,2,3-triol

Menthane-1,2,3-triol
Compound Structure:
Synonyms: 1-methyl-4-propan-2-ylcyclohexane-1,2,3-triol; p-Menthane-1,2,3-triol; 1,2,3-trihydroxy-p-menthane; 4-Isopropyl-1-methyl-1,2,3-cyclohexanetriol
Compound ID: NMPC-1231
PubChem ID:

539044
Molecular Formula: C10H20O3
Canonical SMILES: CC(C)C1CCC(C(C1O)O)(C)O
InChIKey: NVGQNYUHEDOFOJ-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

188.26 g/mol

XLogP3-AA

0.6

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

1

Exact Mass

188.14124450 g/mol

Monoisotopic Mass

188.14124450 g/mol

Topological Polar Surface Area

60.7Ų

Heavy Atom Count

13

Formal Charge

0

Complexity

181

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

4

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Eucalyptus globulus
Eugenia aromatica
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