5-methyl-2-(propan-2-ylidene)cyclohexan-1-ol

• ChemBase ID: 238654
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: C1(=C(C)C)C(CC(CC1)C)O
• Canonical SMILES: CC1CCC(=C(C)C)C(C1)O
• InChI: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8,10-11H,4-6H2,1-3H3
• InChIKey: JGVWYJDASSSGEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(propan-2-ylidene)cyclohexan-1-ol
• IUPAC Traditional name: 5-methyl-2-(propan-2-ylidene)cyclohexan-1-ol
• Synonyms: 5-methyl-2-(propan-2-ylidene)cyclohexan-1-ol

Database IDs

• MDL Number: MFCD08443110
• PubChem SID: 164294564
• PubChem CID: 92793

CALCULATED PROPERTIES

• Acid pKa: 18.760334
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2929895
• LogD (pH = 7.4): 2.2929895
• Log P: 2.2929895
• Molar Refractivity: 47.9517 cm^3
• Polarizability: 18.809866 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.949

Product Information

• Purity: 95%