1-(4-ethoxyphenyl)dec-1-en-3-one

• ChemBase ID: 85005
• Molecular Formular: C18H26O2
• Molecular Mass: 274.39784
• Monoisotopic Mass: 274.19328007
• SMILES: O=C(/C=C/c1ccc(cc1)OCC)CCCCCCC
• Canonical SMILES: CCCCCCCC(=O)/C=C/c1ccc(cc1)OCC
• InChI: InChI=1S/C18H26O2/c1-3-5-6-7-8-9-17(19)13-10-16-11-14-18(15-12-16)20-4-2/h10-15H,3-9H2,1-2H3
• InChIKey: DSXNLFWEQCWBMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-ethoxyphenyl)dec-1-en-3-one
• IUPAC Traditional name: 1-(4-ethoxyphenyl)dec-1-en-3-one
• Synonyms: 1-(4-ethoxyphenyl)dec-1-en-3-one

Database IDs

• MDL Number: MFCD00220533
• PubChem SID: 162072121
• PubChem CID: 5712160

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.5882277
• LogD (pH = 7.4): 5.5882277
• Log P: 5.5882277
• Molar Refractivity: 85.4547 cm^3
• Polarizability: 33.0352 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false