2-ethylideneadamantane

• ChemBase ID: 85205
• Molecular Formular: C12H18
• Molecular Mass: 162.27132
• Monoisotopic Mass: 162.14085058
• SMILES: C/C=C/1\C2CC3CC1CC(C2)C3
• Canonical SMILES: C/C=C/1\C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C12H18/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8/h2,8-11H,3-7H2,1H3/b12-2-
• InChIKey: DDSATBSDGAPDPM-OIXVIMQBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylideneadamantane
• IUPAC Traditional name: 2-ethylideneadamantane
• Synonyms: 2-ethylideneadamantane

Database IDs

• MDL Number: MFCD02682102
• PubChem SID: 162072321
• PubChem CID: 2795221

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2140448
• LogD (pH = 7.4): 3.2140448
• Log P: 3.2140448
• Molar Refractivity: 52.1956 cm^3
• Polarizability: 20.445187 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true