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Home> Hot Product Listed Z   > (Z)-3-Cyclodecen-1-one
2542-99-6 structure

(Z)-3-Cyclodecen-1-one

Iupac Name:(3R,5R,8R,9S,10S,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
CAS No.:2542-99-6
Molecular Weight:316.485g/mol
Molecular Formula:C18H36O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15-,16-,17+,18+,19+,20+,21+/m1/s1
InChkey
CKAXZOYFIHQCBN-UKBVDAKRSA-N
Canonical Smiles
CC12CCC(CC1CCC3C2CCC4(C3CCC4(C#C)O)C)O
Properties
Boiling Point
350.8°C at 760 mmHg
Computational chemical data
  • Molecular Weight:316.485g/molg/mol
  • Molecular Formula:C18H36O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.1
  • Exact Mass:316.24
  • Monoisotopic Mass:316.24
  • Complexity:547
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:8
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAGgAACAAAD1SggAICAAAAAgBA GAAAAAgAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAADAAAYAACAAAYAADAAA AA==
 
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