Cas no 20559-05-1 (Retinol,2,2-dimethylpropanoate (9CI))

Retinol,2,2-dimethylpropanoate (9CI) structure
20559-05-1 structure
Product Name:Retinol,2,2-dimethylpropanoate (9CI)
CAS No:20559-05-1
MF:C25H38O2
MW:370.568027973175
CID:258092
PubChem ID:6436524
Update Time:2025-04-19

Retinol,2,2-dimethylpropanoate (9CI) Chemical and Physical Properties

Names and Identifiers

    • Retinol,2,2-dimethylpropanoate (9CI)
    • [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] 2,2-dimethylpropanoate
    • O~15~-(2,2-dimethylpropanoyl)retinol
    • Retinyl pivalate
    • SCHEMBL9779931
    • DTXSID101303901
    • Retinol, 2,2-dimethylpropanoate
    • 20559-05-1
    • EINECS 243-876-1
    • Inchi: 1S/C25H38O2/c1-19(14-15-22-21(3)13-10-17-25(22,7)8)11-9-12-20(2)16-18-27-23(26)24(4,5)6/h9,11-12,14-16H,10,13,17-18H2,1-8H3/b12-9+,15-14+,19-11+,20-16+
    • InChI Key: LTMXTDZZEINTQC-FYBJENTQSA-N
    • SMILES: O(C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)C(C(C)(C)C)=O

Computed Properties

  • Exact Mass: 370.287180451g/mol
  • Monoisotopic Mass: 370.287180451g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 8
  • Complexity: 674
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 4
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.7
  • Topological Polar Surface Area: 26.3?2
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