methylidenecyclododecane

• ChemBase ID: 79629
• Molecular Formular: C13H24
• Molecular Mass: 180.32966
• Monoisotopic Mass: 180.18780077
• SMILES: C=C1CCCCCCCCCCC1
• Canonical SMILES: C=C1CCCCCCCCCCC1
• InChI: InChI=1S/C13H24/c1-13-11-9-7-5-3-2-4-6-8-10-12-13/h1-12H2
• InChIKey: FCUMNEBCUZTVQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylidenecyclododecane
• IUPAC Traditional name: methylidenecyclododecane
• Synonyms: 1-methylidenecyclododecane

Database IDs

• CAS Number: 32400-07-0
• MDL Number: MFCD00102155
• PubChem SID: 162044392
• PubChem CID: 2775264

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.274197
• LogD (pH = 7.4): 5.274197
• Log P: 5.274197
• Molar Refractivity: 59.5381 cm^3
• Polarizability: 23.781956 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false