Cas no 21978-49-4 (5,9,13,17,21,25,29,33-Pentatriacontaoctaen-2-one,6,10,14,18,22,26,30,34-octamethyl-, (5E,9E,13E,17E,21E,25E,29E)-)

5,9,13,17,21,25,29,33-Pentatriacontaoctaen-2-one,6,10,14,18,22,26,30,34-octamethyl-, (5E,9E,13E,17E,21E,25E,29E)- structure
21978-49-4 structure
Product Name:5,9,13,17,21,25,29,33-Pentatriacontaoctaen-2-one,6,10,14,18,22,26,30,34-octamethyl-, (5E,9E,13E,17E,21E,25E,29E)-
CAS No:21978-49-4
MF:C43H70O
MW:603.015313625336
CID:288139
PubChem ID:12300193
Update Time:2025-04-19

5,9,13,17,21,25,29,33-Pentatriacontaoctaen-2-one,6,10,14,18,22,26,30,34-octamethyl-, (5E,9E,13E,17E,21E,25E,29E)- Chemical and Physical Properties

Names and Identifiers

    • 5,9,13,17,21,25,29,33-Pentatriacontaoctaen-2-one,6,10,14,18,22,26,30,34-octamethyl-, (5E,9E,13E,17E,21E,25E,29E)-
    • Bombiprenone
    • all-trans-6,10,14,18,22,26,30,34-Octamethyl-pentatriacontaoctaen-(5.9.13.17.21.25.29.33)-on-(2)
    • Bombiprenon
    • [ "" ]
    • (5E, 9E, 13E, 17E, 21E, 25E, 29E)-6, 10, 14, 18, 22, 26, 30, 34-octamethylpentatriaconta-5, 9, 13, 17, 21, 25, 29, 33-octaen-2-one
    • AKOS032948289
    • SCHEMBL7944381
    • (5E,9E,13E,17E,21E,25E,29E)-6,10,14,18,22,26,30,34-octamethylpentatriaconta-5,9,13,17,21,25,29,33-octaen-2-one
    • 21978-49-4
    • (5E,9E,13E,17E,21E,25E,29E)-6,10,14,18,22,26,30,34-Octamethyl-5,9,13,17,21,25,29,33-pentatriacontaocten-2-one
    • DTXSID101018124
    • Inchi: 1S/C43H70O/c1-35(2)19-11-20-36(3)21-12-22-37(4)23-13-24-38(5)25-14-26-39(6)27-15-28-40(7)29-16-30-41(8)31-17-32-42(9)33-18-34-43(10)44/h19,21,23,25,27,29,31,33H,11-18,20,22,24,26,28,30,32,34H2,1-10H3/b36-21+,37-23+,38-25+,39-27+,40-29+,41-31+,42-33+
    • InChI Key: RPUKUBKVRRNJDI-WDXILIIOSA-N
    • SMILES: O=C(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Computed Properties

  • Exact Mass: 602.54300
  • Monoisotopic Mass: 602.54266685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 24
  • Complexity: 1060
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 7
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 14.8
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Color/Form: Oily solid
  • Density: 0.9±0.0 g/cm3
  • Boiling Point: 667.2±0.0 °C at 760 mmHg
  • Flash Point: 249.3±0.0 °C
  • PSA: 17.07000
  • LogP: 14.40730
  • Vapor Pressure: 0.0±0.0 mmHg at 25°C

5,9,13,17,21,25,29,33-Pentatriacontaoctaen-2-one,6,10,14,18,22,26,30,34-octamethyl-, (5E,9E,13E,17E,21E,25E,29E)- Security Information

5,9,13,17,21,25,29,33-Pentatriacontaoctaen-2-one,6,10,14,18,22,26,30,34-octamethyl-, (5E,9E,13E,17E,21E,25E,29E)- Pricemore >>

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