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

• ChemBase ID: 111450
• Molecular Formular: C18H30O3
• Molecular Mass: 294.429
• Monoisotopic Mass: 294.21949482
• SMILES: CCCCCCCCCCCC/C=C/C1CC(=O)OC1=O
• Canonical SMILES: CCCCCCCCCCCC/C=C/C1CC(=O)OC1=O
• InChI: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h13-14,16H,2-12,15H2,1H3
• InChIKey: URVNZJUYUMEJFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(tetradec-1-en-1-yl)oxolane-2,5-dione
• IUPAC Traditional name: 3-(tetradec-1-en-1-yl)oxolane-2,5-dione
• Synonyms: TETRADECENYLSUCCINIC ANHYDRIDE

Database IDs

• PubChem SID: 162106516
• PubChem CID: 6043265

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.6961465
• LogD (pH = 7.4): 5.6961465
• Log P: 5.6961465
• Molar Refractivity: 85.8357 cm^3
• Polarizability: 33.747677 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05219227

MP Biomedicals Rare Chemical collection