3,7-dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate

• ChemBase ID: 108750
• Molecular Formular: C19H24O2
• Molecular Mass: 284.39266
• Monoisotopic Mass: 284.17763001
• SMILES: CC(=CCCC(C)(OC(=O)/C=C/c1ccccc1)C=C)C
• Canonical SMILES: C=CC(OC(=O)/C=C/c1ccccc1)(CCC=C(C)C)C
• InChI: InChI=1S/C19H24O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-14H,1,9,15H2,2-4H3
• InChIKey: DPFUEXLIKDHJNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,7-dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate; 3,7-dimethylocta-1,6-dien-3-yl (2E)-3-phenylprop-2-enoate
• IUPAC Traditional name: 3,7-dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate; 3,7-dimethylocta-1,6-dien-3-yl (2E)-3-phenylprop-2-enoate
• Synonyms: LINALYL CINNAMATE; 3,7-Dimethylocta-1,6-dien-3-yl cinnamate

Database IDs

• CAS Number: 78-37-5
• MDL Number: MFCD00048303
• PubChem SID: 162106189
• PubChem CID: 5355858

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.681383
• LogD (pH = 7.4): 5.681383
• Log P: 5.681383
• Molar Refractivity: 89.7743 cm^3
• Polarizability: 34.43024 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05208601

MP Biomedicals Rare Chemical collection