pentacyclo[3.3.0.02,4.03,7.06,8]octane

• ChemBase ID: 126760
• Molecular Formular: C8H8
• Molecular Mass: 104.14912
• Monoisotopic Mass: 104.06260026
• SMILES: C12C3C4C3C3C1C2C43
• Canonical SMILES: C12C3C2C2C4C1C3C24
• InChI: InChI=1S/C8H8/c1-2-5(1)6-3-4(6)8(2)7(1)3/h1-8H
• InChIKey: YIJMEXRVJPVGIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentacyclo[3.3.0.0^2,^4.0^3,^7.0^6,^8]octane
• IUPAC Traditional name: cuneane
• Synonyms: Cuneane

Database IDs

• CAS Number: 20656-23-9
• PubChem SID: 162221088
• PubChem CID: 140734
• Chemspider ID: 124127
• Wikipedia Title: Cuneane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.44124916
• LogD (pH = 7.4): 0.44124916
• Log P: 0.44124916
• Molar Refractivity: 29.18 cm^3
• Polarizability: 11.820178 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true