trans-3-Methylcyclohexanol

trans-3-Methylcyclohexanol
Compound Structure:
Synonyms: (1S,3S)-3-methylcyclohexan-1-ol trans-3-Methylcyclohexanol; 50538-78-8 ;cyclohexanol, 3-methyl-, (1S,3S)- 7443-55-2
Compound ID: NMPC-1547
PubChem ID:

642633
Molecular Formula: C7H14O
Canonical SMILES: CC1CCCC(C1)O
InChIKey: HTSABYAWKQAHBT-BQBZGAKWSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

114.19 g/mol

XLogP3-AA

1.8

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

114.104465066 g/mol

Monoisotopic Mass

114.104465066 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

70.8

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Pteris togoensis
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