dimethyl prop-1-en-2-yl phosphate

• ChemBase ID: 296442
• Molecular Formular: C5H11O4P
• Molecular Mass: 166.112201
• Monoisotopic Mass: 166.03949546
• SMILES: CC(=C)OP(=O)(OC)OC
• Canonical SMILES: COP(=O)(OC(=C)C)OC
• InChI: InChI=1S/C5H11O4P/c1-5(2)9-10(6,7-3)8-4/h1H2,2-4H3
• InChIKey: CLUBBNMVLUHMDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl prop-1-en-2-yl phosphate
• IUPAC Traditional name: dimethyl prop-1-en-2-yl phosphate
• Synonyms: Dimethyl 1-methylethenyl phosphate; Dimethyl isopropenyl phosphate; 异丙烯基磷酸二甲盐

Database IDs

• CAS Number: 4185-82-4
• MDL Number: MFCD09953485
• PubChem SID: 180681973
• PubChem CID: 581450

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 0.69079214
• LogD (pH = 7.4): 0.69079214
• Log P: 0.69079214
• Molar Refractivity: 37.6101 cm^3
• Polarizability: 15.185695 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1

PROPERTIES

Physical Property

• Boiling Point: 120°C/7.5mm
• Refractive Index: 1.4200

Safety Information

• Storage Warning: Moisture Sensitive
• TSCA Listed: 否

Product Information

• Purity: 95%