bicyclo[4.1.0]heptane

• ChemBase ID: 128657
• Molecular Formular: C7H12
• Molecular Mass: 96.17018
• Monoisotopic Mass: 96.09390038
• SMILES: C1C2CCCCC12
• Canonical SMILES: C1CCC2C(C1)C2
• InChI: InChI=1S/C7H12/c1-2-4-7-5-6(7)3-1/h6-7H,1-5H2
• InChIKey: WPHGSKGZRAQSGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[4.1.0]heptane
• IUPAC Traditional name: bicyclo(4.1.0)heptane
• Synonyms: Norcarane

Database IDs

• CAS Number: 286-08-8
• PubChem SID: 162222964
• PubChem CID: 9245
• Chemspider ID: 8889
• Wikipedia Title: Norcarane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3331556
• LogD (pH = 7.4): 2.3331556
• Log P: 2.3331556
• Molar Refractivity: 30.3 cm^3
• Polarizability: 12.18565 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true