cyclohexyl (2E)-3-phenylprop-2-enoate

• ChemBase ID: 287157
• Molecular Formular: C15H18O2
• Molecular Mass: 230.30222
• Monoisotopic Mass: 230.13067982
• SMILES: O=C(OC1CCCCC1)/C=C/c1ccccc1
• Canonical SMILES: O=C(OC1CCCCC1)/C=C/c1ccccc1
• InChI: InChI=1S/C15H18O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11+
• InChIKey: GCFAUZGWPDYAJN-VAWYXSNFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl (2E)-3-phenylprop-2-enoate
• IUPAC Traditional name: cyclohexyl (2E)-3-phenylprop-2-enoate
• Synonyms: Cyclohexyl cinnamate

Database IDs

• CAS Number: 7779-17-1
• MDL Number: MFCD00046350
• PubChem SID: 180672688
• PubChem CID: 5357153

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3145843
• LogD (pH = 7.4): 4.3145843
• Log P: 4.3145843
• Molar Refractivity: 68.8432 cm^3
• Polarizability: 26.778988 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%