ethyl 8-chloronon-8-enoate

• ChemBase ID: 73691
• Molecular Formular: C11H19ClO2
• Molecular Mass: 218.72036
• Monoisotopic Mass: 218.10735753
• SMILES: ClC(=C)CCCCCCC(=O)OCC
• Canonical SMILES: CCOC(=O)CCCCCCC(=C)Cl
• InChI: InChI=1S/C11H19ClO2/c1-3-14-11(13)9-7-5-4-6-8-10(2)12/h2-9H2,1H3
• InChIKey: WTFVYTWWPTXNDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 8-chloronon-8-enoate
• IUPAC Traditional name: ethyl 8-chloronon-8-enoate
• Synonyms: Ethyl 8-chloronon-8-enoate 97%

Database IDs

• MDL Number: MFCD00671854
• PubChem SID: 162038610
• PubChem CID: 24721705

CALCULATED PROPERTIES

• Polarizability: 23.34658 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4241717
• LogD (pH = 7.4): 3.4241717
• Log P: 3.4241717
• Molar Refractivity: 59.3086 cm^3