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Home> Hot Product Listed 4   > (4S,4aβ,7aβ)-4β,7β-Dimethyloctahydrocyclopenta[c]pyran-3-one
373-11-5 structure

(4S,4aβ,7aβ)-4β,7β-Dimethyloctahydrocyclopenta[c]pyran-3-one

Iupac Name:S-(4-fluorobutyl) ethanethioate
CAS No.:373-11-5
Molecular Weight:150.214343
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

(4S)-4,4aβ,5,6,7,7aβ-Hexahydro-4β,7β-dimethylcyclopenta[c]pyran-3(1H)-one Cyclopenta(C)pyran-3(1H)-one, hexahydro-4,7-dimethyl-, (4S-(4-alpha,4A-alpha,7-alpha,7A-alpha))- Isoiridomyrmecin Isoiridomyrmercin Isoirridomyrmercin

Inchi
InChI=1/C6H11FOS/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
Canonical Smiles
CC(=O)SCCCCF
Properties
Refractive Index
1.44
Flash Point
84.263°C
Computational chemical data
  • Molecular Weight:150.214343g/mol
  • Molecular Formula:
  • Exact Mass:150.051464
  • Monoisotopic Mass:150.051464
  • Complexity:85.1
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:42.4
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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