prismane

• ChemBase ID: 129108
• Molecular Formular: C6H6
• Molecular Mass: 78.11184
• Monoisotopic Mass: 78.04695019
• SMILES: C12C3C1C1C2C31
• Canonical SMILES: C12C3C2C2C1C32
• InChI: InChI=1S/C6H6/c1-2-3(1)6-4(1)5(2)6/h1-6H
• InChIKey: RCJOMOPNGOSMJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prismane
• IUPAC Traditional name: prismane
• Synonyms: Prismane

Database IDs

• CAS Number: 650-42-0
• PubChem SID: 162223407
• PubChem CID: 12305738
• Chemspider ID: 16736515
• Wikipedia Title: Prismane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.33093688
• LogD (pH = 7.4): 0.33093688
• Log P: 0.33093688
• Molar Refractivity: 21.885 cm^3
• Polarizability: 8.865133 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true