ethyl dec-4-enoate

• ChemBase ID: 107340
• Molecular Formular: C12H22O2
• Molecular Mass: 198.30188
• Monoisotopic Mass: 198.16197994
• SMILES: CCCCC/C=C/CCC(=O)OCC
• Canonical SMILES: CCCCC/C=C/CCC(=O)OCC
• InChI: InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3
• InChIKey: AWNIQMQADACLCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl dec-4-enoate; ethyl (4E)-dec-4-enoate
• IUPAC Traditional name: ethyl dec-4-enoate; ethyl (4E)-dec-4-enoate
• Synonyms: ETHYL trans-4-DECENOATE; trans-4-Decenoic acid ethyl ester; Ethyl trans-4-decenoate; 反式-4-癸烯酸乙酯

Database IDs

• CAS Number: 26825-88-7; 76649-16-6
• EC Number: 278-509-4
• MDL Number: MFCD00015574
• PubChem SID: 162093441
• PubChem CID: 5362583

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7299511
• LogD (pH = 7.4): 3.7299511
• Log P: 3.7299511
• Molar Refractivity: 60.1119 cm^3
• Polarizability: 23.35703 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4370

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05203377

MP Biomedicals Rare Chemical collection