3-decyloxolane-2,5-dione

• ChemBase ID: 111707
• Molecular Formular: C14H24O3
• Molecular Mass: 240.33856
• Monoisotopic Mass: 240.17254463
• SMILES: CCCCCCCCCCC1CC(=O)OC1=O
• Canonical SMILES: CCCCCCCCCCC1CC(=O)OC1=O
• InChI: InChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h12H,2-11H2,1H3
• InChIKey: YOWKKGPNCDIFFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-decyloxolane-2,5-dione
• IUPAC Traditional name: 3-decyloxolane-2,5-dione
• Synonyms: n-DECYLSUCCINIC ANHYDRIDE

Database IDs

• CAS Number: 18470-76-3
• EC Number: 242-350-9
• PubChem SID: 162096845
• PubChem CID: 86743

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2797933
• LogD (pH = 7.4): 4.2797933
• Log P: 4.2797933
• Molar Refractivity: 66.3151 cm^3
• Polarizability: 26.625702 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: WN1080000

DETAILS

MP Biomedicals - 05220488

MP Biomedicals Rare Chemical collection