Cas no 646450-38-6 (Phosphoric acid, pentyl dipropyl ester)

Phosphoric acid, pentyl dipropyl ester structure
646450-38-6 structure
Product Name:Phosphoric acid, pentyl dipropyl ester
CAS No:646450-38-6
MF:C11H25O4P
MW:252.287564992905
CID:420889
PubChem ID:12031862
Update Time:2025-04-19

Phosphoric acid, pentyl dipropyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphoric acid, pentyl dipropyl ester
    • pentyl dipropyl phosphate
    • 646450-38-6
    • DTXSID90476179
    • Inchi: 1S/C11H25O4P/c1-4-7-8-11-15-16(12,13-9-5-2)14-10-6-3/h4-11H2,1-3H3
    • InChI Key: RCWUXPGHJCTUEG-UHFFFAOYSA-N
    • SMILES: P(=O)(OCCC)(OCCC)OCCCCC

Computed Properties

  • Exact Mass: 252.14915
  • Monoisotopic Mass: 252.14904627g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 11
  • Complexity: 184
  • 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
  • XLogP3: 2.8
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • PSA: 44.76
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