1-methyl-4-(propan-2-yl)cyclohexan-1-ol

• ChemBase ID: 111375
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: CC(C)C1CCC(C)(O)CC1
• Canonical SMILES: CC(C1CCC(CC1)(C)O)C
• InChI: InChI=1S/C10H20O/c1-8(2)9-4-6-10(3,11)7-5-9/h8-9,11H,4-7H2,1-3H3
• InChIKey: CMLYGGFIXXLYQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(propan-2-yl)cyclohexan-1-ol
• IUPAC Traditional name: 4-isopropyl-1-methylcyclohexan-1-ol
• Synonyms: DIHYDROTERPINEOL

Database IDs

• CAS Number: 21129-27-1
• PubChem SID: 162096778
• PubChem CID: 89437

CALCULATED PROPERTIES

• Acid pKa: 18.926903
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.579877
• LogD (pH = 7.4): 2.579877
• Log P: 2.579877
• Molar Refractivity: 47.6119 cm^3
• Polarizability: 19.046404 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.907 g/ml

DETAILS

MP Biomedicals - 05218905

MP Biomedicals Rare Chemical collection