Cas no 5905-42-0 (Betulaprenol 8)

Betulaprenol 8 structure
Betulaprenol 8 structure
Product Name:Betulaprenol 8
CAS No:5905-42-0
MF:C40H66O
MW:562.951452732086
CID:2008604
PubChem ID:707
Update Time:2025-04-21

Betulaprenol 8 Chemical and Physical Properties

Names and Identifiers

    • Betulaprenol 8
    • 3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaocten-1-ol
    • DTXSID20274281
    • 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-ol
    • 5905-42-0
    • DTXCID50225761
    • Inchi: 1S/C40H66O/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-41/h17,19,21,23,25,27,29,31,41H,10-16,18,20,22,24,26,28,30,32H2,1-9H3
    • InChI Key: BZORESSIXXHLNB-UHFFFAOYSA-N
    • SMILES: OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CC/C=C(\C)/C

Computed Properties

  • Exact Mass: 562.511366725g/mol
  • Monoisotopic Mass: 562.511366725g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 22
  • Complexity: 951
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 7
  • XLogP3: 14
  • Topological Polar Surface Area: 20.2?2
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