1,1-dimethyl-4-methylidenecyclohexane

• ChemBase ID: 246481
• Molecular Formular: C9H16
• Molecular Mass: 124.22334
• Monoisotopic Mass: 124.12520051
• SMILES: C1(=C)CCC(CC1)(C)C
• Canonical SMILES: C=C1CCC(CC1)(C)C
• InChI: InChI=1S/C9H16/c1-8-4-6-9(2,3)7-5-8/h1,4-7H2,2-3H3
• InChIKey: PRRXIEFNGOETTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dimethyl-4-methylidenecyclohexane
• IUPAC Traditional name: 1,1-dimethyl-4-methylidenecyclohexane
• Synonyms: 1,1-dimethyl-4-methylidenecyclohexane

Database IDs

• MDL Number: MFCD20384596
• PubChem SID: 164302391
• PubChem CID: 572964

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1938515
• LogD (pH = 7.4): 3.1938515
• Log P: 3.1938515
• Molar Refractivity: 40.9558 cm^3
• Polarizability: 16.394049 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.427

Product Information

• Purity: 95%