cyclooctadecane-1,10-dione

• ChemBase ID: 183240
• Molecular Formular: C18H32O2
• Molecular Mass: 280.44548
• Monoisotopic Mass: 280.24023026
• SMILES: O=C1CCCCCCCCC(=O)CCCCCCCC1
• Canonical SMILES: O=C1CCCCCCCCC(=O)CCCCCCCC1
• InChI: InChI=1S/C18H32O2/c19-17-13-9-5-1-2-6-10-14-18(20)16-12-8-4-3-7-11-15-17/h1-16H2
• InChIKey: OSGRVHXQLPLNRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclooctadecane-1,10-dione
• IUPAC Traditional name: cyclooctadecane-1,10-dione

Database IDs

• PubChem SID: 164239150
• PubChem CID: 286610

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.6438007
• LogD (pH = 7.4): 5.6438007
• Log P: 5.6438007
• Molar Refractivity: 84.1008 cm^3
• Polarizability: 33.304657 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds