Cas no 131484-74-7 (Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*[Z(S*)]],3b]]- (9CI))

Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*[Z(S*)]],3b]]- (9CI) structure
131484-74-7 structure
Product Name:Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*[Z(S*)]],3b]]- (9CI)
CAS No:131484-74-7
MF:C21H28O4
MW:344.444626808167
CID:178128
PubChem ID:6442769
Update Time:2025-04-19

Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*[Z(S*)]],3b]]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*[Z(S*)]],3b]]- (9CI)
    • [(1S)-2-methyl-3-[(E)-3-[(2S)-oxiran-2-yl]prop-2-enyl]-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
    • Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl
    • 131484-74-7
    • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta))-
    • Inchi: 1S/C21H28O4/c1-12(2)9-16-19(21(16,4)5)20(23)25-18-10-17(22)15(13(18)3)8-6-7-14-11-24-14/h6-7,9,14,16,18-19H,8,10-11H2,1-5H3/b7-6+/t14-,16+,18-,19-/m0/s1
    • InChI Key: JQUSIVUTOBDQKD-OWWAWSRFSA-N
    • SMILES: O([C@@H]1C(C)=C(C/C=C/[C@H]2CO2)C(C1)=O)C([C@@H]1[C@@H](/C=C(\C)/C)C1(C)C)=O

Computed Properties

  • Exact Mass: 344.19875937g/mol
  • Monoisotopic Mass: 344.19875937g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 7
  • Complexity: 676
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 55.9?2
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