benzyl dodecanoate

• ChemBase ID: 111660
• Molecular Formular: C19H30O2
• Molecular Mass: 290.4403
• Monoisotopic Mass: 290.2245802
• SMILES: CCCCCCCCCCCC(=O)OCc1ccccc1
• Canonical SMILES: CCCCCCCCCCCC(=O)OCc1ccccc1
• InChI: InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h10-12,14-15H,2-9,13,16-17H2,1H3
• InChIKey: QNRYOQRUGRVBRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl dodecanoate
• IUPAC Traditional name: benzyl dodecanoate
• Synonyms: BENZYL LAURATE

Database IDs

• CAS Number: 140-25-0
• EC Number: 205-405-8
• PubChem SID: 162098116
• PubChem CID: 8791

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.3486753
• LogD (pH = 7.4): 6.3486753
• Log P: 6.3486753
• Molar Refractivity: 88.0613 cm^3
• Polarizability: 35.055573 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05220273

MP Biomedicals Rare Chemical collection