tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene

• ChemBase ID: 129986
• Molecular Formular: C12H12
• Molecular Mass: 156.22368
• Monoisotopic Mass: 156.09390038
• SMILES: c12c3c(c4c(c1CC2)CC4)CC3
• Canonical SMILES: C1Cc2c1c1CCc1c1c2CC1
• InChI: InChI=1S/C12H12/c1-2-8-7(1)9-3-4-11(9)12-6-5-10(8)12/h1-6H2
• InChIKey: MTPUNWSZJLTTLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetracyclo[8.2.0.0^2,^5.0^6,^9]dodeca-1,5,9-triene
• IUPAC Traditional name: tricyclobutabenzene
• Synonyms: Tricyclobutabenzene

Database IDs

• PubChem SID: 162224272
• PubChem CID: 143698
• Chemspider ID: 126777
• Wikipedia Title: Tricyclobutabenzene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6625965
• LogD (pH = 7.4): 3.6625965
• Log P: 3.6625965
• Molar Refractivity: 50.8986 cm^3
• Polarizability: 18.74386 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true