dicyclopentylmethanone

• ChemBase ID: 310552
• Molecular Formular: C11H18O
• Molecular Mass: 166.26002
• Monoisotopic Mass: 166.1357652
• SMILES: C(=O)(C1CCCC1)C1CCCC1
• Canonical SMILES: O=C(C1CCCC1)C1CCCC1
• InChI: InChI=1S/C11H18O/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h9-10H,1-8H2
• InChIKey: NWDXDEBDJICFAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclopentylmethanone
• IUPAC Traditional name: dicyclopentylmethanone
• Synonyms: dicyclopentylmethanone

Database IDs

• CAS Number: 17610-48-9
• MDL Number: MFCD00540242

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4441469
• LogD (pH = 7.4): 3.4441469
• Log P: 3.4441469
• Molar Refractivity: 49.3972 cm^3
• Polarizability: 19.60729 Å^3
• Polar Surface Area: 17.07 Å^2