penta-1,2,3,4-tetraene-1,5-dione

• ChemBase ID: 128852
• Molecular Formular: C5O2
• Molecular Mass: 92.0523
• Monoisotopic Mass: 91.98982924
• SMILES: O=C=C=C=C=C=O
• Canonical SMILES: O=C=C=C=C=C=O
• InChI: InChI=1S/C5O2/c6-4-2-1-3-5-7
• InChIKey: BKMBQDLZBSCFGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: penta-1,2,3,4-tetraene-1,5-dione
• IUPAC Traditional name: pentacarbon dioxide
• Synonyms: Pentacarbon dioxide

Database IDs

• CAS Number: 51799-36-1
• PubChem SID: 162223155
• PubChem CID: 521350
• Chemspider ID: 454765
• Wikipedia Title: Pentacarbon_dioxide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2489
• LogD (pH = 7.4): -0.2489
• Log P: -0.2489
• Molar Refractivity: 21.1309 cm^3
• Polarizability: 7.6785746 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true