(1,2,4-trimethylcyclohexyl)methanol

• ChemBase ID: 118993
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: C1(C(CC(CC1)C)C)(CO)C
• Canonical SMILES: OCC1(C)CCC(CC1C)C
• InChI: InChI=1S/C10H20O/c1-8-4-5-10(3,7-11)9(2)6-8/h8-9,11H,4-7H2,1-3H3
• InChIKey: REGYHIGUVRNVAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,2,4-trimethylcyclohexyl)methanol
• IUPAC Traditional name: (1,2,4-trimethylcyclohexyl)methanol
• Synonyms: (1,2,4-trimethylcyclohexyl)methanol

Database IDs

• PubChem SID: 162107245
• PubChem CID: 4208872

CALCULATED PROPERTIES

• Acid pKa: 18.542425
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5477452
• LogD (pH = 7.4): 2.5477452
• Log P: 2.5477452
• Molar Refractivity: 47.5016 cm^3
• Polarizability: 19.046404 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true