trans-4-methylcyclohexanol | SBID = 1722 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C7H14O
M / g/mol: 114.18546
Complexity:
Number of Conformers:

Identifiers

  • Tags: alcohol
  • Name: trans-4-methylcyclohexanol
  • Preferred Abbreviation: trans-4-methylcyclohexanol
  • IUPAC Name:
  • CAS:
  • CID: -680
  • InChiKey: MQWCXKGKQLNYQG-UHFFFAOYSA-N
  • InChi: InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3
  • CanoSmiles: C[C@@H]1CC[C@H](CC1)O
  • IsoSmiles: O[C@H]1CC[C@H](C)CC1