ethyl dodec-5-enoate

• ChemBase ID: 82040
• Molecular Formular: C14H26O2
• Molecular Mass: 226.35504
• Monoisotopic Mass: 226.19328007
• SMILES: O=C(OCC)CCC/C=C/CCCCCC
• Canonical SMILES: CCCCCC/C=C/CCCC(=O)OCC
• InChI: InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h9-10H,3-8,11-13H2,1-2H3
• InChIKey: LYMJBMIYQMVCCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl dodec-5-enoate
• IUPAC Traditional name: ethyl dodec-5-enoate
• Synonyms: ethyl dodec-5-enoate

Database IDs

• MDL Number: MFCD00239342
• PubChem SID: 162069159
• PubChem CID: 5854851

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6190886
• LogD (pH = 7.4): 4.6190886
• Log P: 4.6190886
• Molar Refractivity: 69.3139 cm^3
• Polarizability: 27.045694 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true