Cas no 1186-17-0 (Phosphonic acid, pentyl-, diethyl ester)

Phosphonic acid, pentyl-, diethyl ester structure
1186-17-0 structure
Product Name:Phosphonic acid, pentyl-, diethyl ester
CAS No:1186-17-0
MF:C9H21O3P
MW:208.23500418663
CID:1208163
PubChem ID:592421
Update Time:2025-04-20

Phosphonic acid, pentyl-, diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, pentyl-, diethyl ester
    • 1-diethoxyphosphorylpentane
    • Pentylphosphonic acid diethyl ester
    • RWKSDJWCHGWVBF-UHFFFAOYSA-N
    • DTXSID70343815
    • Diethyl pentylphosphonate
    • SCHEMBL388266
    • DB-255936
    • 1186-17-0
    • Diethyl pentylphosphonate #
    • diethylpentylphosphonate
    • Inchi: 1S/C9H21O3P/c1-4-7-8-9-13(10,11-5-2)12-6-3/h4-9H2,1-3H3
    • InChI Key: RWKSDJWCHGWVBF-UHFFFAOYSA-N
    • SMILES: P(CCCCC)(=O)(OCC)OCC

Computed Properties

  • Exact Mass: 208.12293
  • Monoisotopic Mass: 208.12283153g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 8
  • Complexity: 149
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
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