(2,4,6-trimethylcyclohexyl)methanol

• ChemBase ID: 111931
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: CC1CC(C)C(CO)C(C)C1
• Canonical SMILES: OCC1C(C)CC(CC1C)C
• InChI: InChI=1S/C10H20O/c1-7-4-8(2)10(6-11)9(3)5-7/h7-11H,4-6H2,1-3H3
• InChIKey: CRBABKUHZTZOJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4,6-trimethylcyclohexyl)methanol
• IUPAC Traditional name: (2,4,6-trimethylcyclohexyl)methanol
• Synonyms: (2,4,6-TRIMETHYLCYCLOHEXYL)-METHANOL

Database IDs

• PubChem SID: 162106711
• PubChem CID: 549904

CALCULATED PROPERTIES

• Acid pKa: 18.269308
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4567635
• LogD (pH = 7.4): 2.4567635
• Log P: 2.4567635
• Molar Refractivity: 47.6521 cm^3
• Polarizability: 19.046404 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:10
• Safety Statements: S:9-16-29

DETAILS

MP Biomedicals - 05221771

MP Biomedicals Rare Chemical collection