ovalene

• ChemBase ID: 130537
• Molecular Formular: C32H14
• Molecular Mass: 398.45356
• Monoisotopic Mass: 398.10955045
• SMILES: c1cc2c3c4c1ccc1cc5c6c7c(ccc8c7c7c(cc8)cc(c3c7c6c41)cc2)cc5
• Canonical SMILES: c1cc2ccc3c4c2c2c1cc1ccc5c6c1c2c1c4c(cc3)cc2c1c6c(cc5)cc2
• InChI: InChI=1S/C32H14/c1-2-16-6-10-20-14-22-12-8-18-4-3-17-7-11-21-13-19-9-5-15(1)23-24(16)28(20)32-30(22)26(18)25(17)29(21)31(32)27(19)23/h1-14H
• InChIKey: LSQODMMMSXHVCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ovalene
• IUPAC Traditional name: ovalene
• Synonyms: Ovalene

Database IDs

• CAS Number: 190-26-1
• EC Number: 205-880-1
• PubChem SID: 162224815
• PubChem CID: 67446
• Wikipedia Title: Ovalene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.5897937
• LogD (pH = 7.4): 7.5897937
• Log P: 7.5897937
• Molar Refractivity: 130.6798 cm^3
• Polarizability: 62.5694 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Safety Statements: R