Cas no 51475-40-2 (Pentane-1,2-diol;pentane-1,5-diol;pentane-1,2,5-triol)

Pentane-1,2-diol;pentane-1,5-diol;pentane-1,2,5-triol structure
51475-40-2 structure
Product Name:Pentane-1,2-diol;pentane-1,5-diol;pentane-1,2,5-triol
CAS No:51475-40-2
MF:C15H36O7
MW:328.44214630127
CID:2621386
Update Time:2023-08-07

Pentane-1,2-diol;pentane-1,5-diol;pentane-1,2,5-triol Chemical and Physical Properties

Names and Identifiers

    • VV 2
    • BB 2
    • 1,2,5-Pentanetriol, polymer with 1,2-pentanediol and 1,5-pentanediol
    • Pentane-1,2-diol;pentane-1,5-diol;pentane-1,2,5-triol
    • Inchi: 1S/C5H12O3.2C5H12O2/c6-3-1-2-5(8)4-7;1-2-3-5(7)4-6;6-4-2-1-3-5-7/h5-8H,1-4H2;5-7H,2-4H2,1H3;6-7H,1-5H2
    • InChI Key: GERHOHYNNYOOPT-UHFFFAOYSA-N
    • SMILES: OC(CO)CCCO.OC(CO)CCC.OCCCCCO

Computed Properties

  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 11
  • Complexity: 109
  • Topological Polar Surface Area: 142
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