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

• ChemBase ID: 110713
• Molecular Formular: C10H14O3
• Molecular Mass: 182.21636
• Monoisotopic Mass: 182.09429431
• SMILES: CCC/C=C/CC1CC(=O)OC1=O
• Canonical SMILES: CCC/C=C/CC1CC(=O)OC1=O
• InChI: InChI=1S/C10H14O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h4-5,8H,2-3,6-7H2,1H3
• InChIKey: VWXVGDSPDMSWFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(hex-2-en-1-yl)oxolane-2,5-dione
• IUPAC Traditional name: 3-(hex-2-en-1-yl)oxolane-2,5-dione
• Synonyms: 2-Hexenylsuccinic anhydride; n-HEXENYL SUCCINIC ANHYDRIDE; 2-己烯基丁二酸酐

Database IDs

• CAS Number: 10500-34-2; 39587-79-6
• MDL Number: MFCD00061535
• PubChem SID: 162096955
• PubChem CID: 6437721

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.139597
• LogD (pH = 7.4): 2.139597
• Log P: 2.139597
• Molar Refractivity: 49.0277 cm^3
• Polarizability: 19.032686 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4700

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05216018

MP Biomedicals Rare Chemical collection