benzyl ethyl (undec-10-en-1-yl)phosphonate

• ChemBase ID: 179384
• Molecular Formular: C20H33O3P
• Molecular Mass: 352.447981
• Monoisotopic Mass: 352.21673155
• SMILES: C(=C)CCCCCCCCCP(=O)(OCc1ccccc1)OCC
• Canonical SMILES: C=CCCCCCCCCCP(=O)(OCc1ccccc1)OCC
• InChI: InChI=1S/C20H33O3P/c1-3-5-6-7-8-9-10-11-15-18-24(21,22-4-2)23-19-20-16-13-12-14-17-20/h3,12-14,16-17H,1,4-11,15,18-19H2,2H3
• InChIKey: WGIUBJHRZWZCPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl ethyl (undec-10-en-1-yl)phosphonate
• IUPAC Traditional name: benzyl ethyl undec-10-en-1-ylphosphonate
• Synonyms: 1-(Benzyloxyethoxyphosphinyl)-10-undecene; 10-Undecenyl-phosphonic Acid Benzyl Ethyl Diester

Database IDs

• PubChem SID: 164235294
• PubChem CID: 71752883

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.9367304
• LogD (pH = 7.4): 5.9367304
• Log P: 5.9367304
• Molar Refractivity: 101.7523 cm^3
• Polarizability: 40.52835 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Light Yellow Oil

DETAILS

Toronto Research Chemicals - U789000

Phosphorylating Agent.