1-methylcyclohept-1-ene

• ChemBase ID: 109763
• Molecular Formular: C8H14
• Molecular Mass: 110.19676
• Monoisotopic Mass: 110.10955045
• SMILES: CC1=CCCCCC1
• Canonical SMILES: CC1=CCCCCC1
• InChI: InChI=1S/C8H14/c1-8-6-4-2-3-5-7-8/h6H,2-5,7H2,1H3
• InChIKey: MREBNFRVGNTYOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylcyclohept-1-ene
• IUPAC Traditional name: 1-methyl-cycloheptene
• Synonyms: 1-METHYL-1-CYCLOHEPTENE

Database IDs

• CAS Number: 1453-25-4
• PubChem SID: 162090492
• PubChem CID: 73813

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9934204
• LogD (pH = 7.4): 2.9934204
• Log P: 2.9934204
• Molar Refractivity: 37.6056 cm^3
• Polarizability: 14.547113 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true