1,10-dibenzyl decanedioate

• ChemBase ID: 107217
• Molecular Formular: C24H30O4
• Molecular Mass: 382.4926
• Monoisotopic Mass: 382.21440944
• SMILES: O=C(CCCCCCCCC(=O)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: O=C(OCc1ccccc1)CCCCCCCCC(=O)OCc1ccccc1
• InChI: InChI=1S/C24H30O4/c25-23(27-19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)28-20-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2
• InChIKey: DVLXEVMGHXWBOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-dibenzyl decanedioate
• IUPAC Traditional name: 1,10-dibenzyl decanedioate
• Synonyms: DIBENZYL SEBACATE

Database IDs

• CAS Number: 140-24-9
• EC Number: 205-404-2
• PubChem SID: 162093504
• PubChem CID: 8790

CALCULATED PROPERTIES

• Molar Refractivity: 109.9064 cm^3
• Polarizability: 43.546432 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.0096636
• LogD (pH = 7.4): 6.0096636
• Log P: 6.0096636

DETAILS

MP Biomedicals - 05202951

MP Biomedicals Rare Chemical collection