methyl (10Z)-heptadec-10-enoate

• ChemBase ID: 130619
• Molecular Formular: C18H34O2
• Molecular Mass: 282.46136
• Monoisotopic Mass: 282.25588033
• SMILES: CCCCCC/C=C\CCCCCCCCC(=O)OC
• Canonical SMILES: CCCCCC/C=C\CCCCCCCCC(=O)OC
• InChI: InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h8-9H,3-7,10-17H2,1-2H3/b9-8-
• InChIKey: JNSUZRHLHDQGPN-HJWRWDBZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (10Z)-heptadec-10-enoate
• IUPAC Traditional name: methyl (10Z)-heptadec-10-enoate
• Synonyms: Methyl cis-10-heptadecenoate; 顺-10-十七碳烯酸甲酯; 十七碳烯酸甲酯(C17:1,顺-10)

Database IDs

• CAS Number: 75190-82-8
• MDL Number: MFCD00133176
• PubChem SID: 24895840; 162224897
• PubChem CID: 16219491

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.4851236
• LogD (pH = 7.4): 6.4851236
• Log P: 6.4851236
• Molar Refractivity: 87.5703 cm^3
• Polarizability: 34.42631 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false