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Substance Name: Cinerin II [BSI:ISO]
RN: 121-20-0
UNII: J204A0Y0JG
InChIKey: SHCRDCOTRILILT-WOBDGSLYSA-N

Molecular Formula

  • C21-H28-O5

Molecular Weight

  • 360.4472
 
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Names and Synonyms

Results Name

  • Cinerin II [BSI:ISO]

Name of Substance

  • Cinerin II
  • Cinerin II [BSI:ISO]

Synonyms

  • 3-(3-Methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester
  • Cinerin II
  • Cinerine II
  • Cinerine II [ISO-French]
  • EINECS 204-454-2
  • HSDB 6838
  • UNII-J204A0Y0JG

Systematic Names

  • 3-(But-2-enyl)-2-methyl-4-oxocyclopent-2-enyl2,2-dimethyl-3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)cyclopropanecarboxylate
  • Cyclopropanecarboxylic acid, 3-((1E)-3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (1S)-3-(2Z)-2-butenyl-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R,3R)-

Superlist Name

  • Cinerin II

Registry Numbers

CAS Registry Number

  • 121-20-0

FDA UNII

  • J204A0Y0JG

System Generated Number

  • 0000121200

Structure Descriptors

InChI

1S/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-,12-10+/t15-,17+,18+/m1/s1

InChIKey

SHCRDCOTRILILT-WOBDGSLYSA-N

Smiles

COC(=O)\C(=C\[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(=C2C)C\C=C/C)C1(C)C)\C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.980 (none)   EST
Water Solubility 0.301 mg/L 25 EST
Vapor Pressure 4.59E-07 mm Hg 25 EST
Henry's Law Constant 9.17E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.