3-tetradecyloxolane-2,5-dione

• ChemBase ID: 111875
• Molecular Formular: C18H32O3
• Molecular Mass: 296.44488
• Monoisotopic Mass: 296.23514488
• SMILES: CCCCCCCCCCCCCCC1CC(=O)OC1=O
• Canonical SMILES: CCCCCCCCCCCCCCC1CC(=O)OC1=O
• InChI: InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h16H,2-15H2,1H3
• InChIKey: BZECBEKZECEQRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-tetradecyloxolane-2,5-dione
• IUPAC Traditional name: 3-tetradecyloxolane-2,5-dione
• Synonyms: n-TETRADECYLSUCCINIC ANHYDRIDE

Database IDs

• CAS Number: 47165-57-1
• PubChem SID: 162097251
• PubChem CID: 98128

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.058068
• LogD (pH = 7.4): 6.058068
• Log P: 6.058068
• Molar Refractivity: 84.7191 cm^3
• Polarizability: 33.98851 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false