Cas no 150799-85-2 (Phosphonic acid,P-methyl-, methyl 2-methylpropyl ester)

Phosphonic acid,P-methyl-, methyl 2-methylpropyl ester structure
150799-85-2 structure
Product Name:Phosphonic acid,P-methyl-, methyl 2-methylpropyl ester
CAS No:150799-85-2
MF:C6H15O3P
MW:166.155263185501
CID:99783
PubChem ID:574019
Update Time:2025-04-18

Phosphonic acid,P-methyl-, methyl 2-methylpropyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid,P-methyl-, methyl 2-methylpropyl ester
    • 1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane
    • Isobutyl methyl methylphosphonate
    • 150799-85-2
    • DTXSID40341565
    • ZYZQNNOYPLAWPJ-UHFFFAOYSA-N
    • O-isobutyl O-methyl methylphosphonate
    • Methyl 2-methylpropyl methylphosphonate
    • Inchi: 1S/C6H15O3P/c1-6(2)5-9-10(4,7)8-3/h6H,5H2,1-4H3
    • InChI Key: ZYZQNNOYPLAWPJ-UHFFFAOYSA-N
    • SMILES: P(C)(=O)(OC)OCC(C)C

Computed Properties

  • Exact Mass: 166.07595
  • Monoisotopic Mass: 166.07588133g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 133
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
  • LogP: 2.12830
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