3-(dec-1-en-1-yl)oxolane-2,5-dione

• ChemBase ID: 109858
• Molecular Formular: C14H22O3
• Molecular Mass: 238.32268
• Monoisotopic Mass: 238.15689456
• SMILES: CCCCCCCC/C=C/C1CC(=O)OC1=O
• Canonical SMILES: CCCCCCCC/C=C/C1CC(=O)OC1=O
• InChI: InChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h9-10,12H,2-8,11H2,1H3
• InChIKey: UWERUIGPWOVNGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dec-1-en-1-yl)oxolane-2,5-dione
• IUPAC Traditional name: 3-(dec-1-en-1-yl)oxolane-2,5-dione
• Synonyms: n-1-DECENYLSUCCINIC ANHYDRIDE

Database IDs

• CAS Number: 33475-53-5
• PubChem SID: 162095364
• PubChem CID: 5354807

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9178717
• LogD (pH = 7.4): 3.9178717
• Log P: 3.9178717
• Molar Refractivity: 67.4317 cm^3
• Polarizability: 26.382631 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05212811

MP Biomedicals Rare Chemical collection