chempirical

Pyrethrin ii

C22H28O5CAS 121-29-9372.46 g/mol

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AlkeneEsterKetone

Properties

Molecular formula
C22H28O5
Molar mass
372.46 g/mol
Exact mass
372.1937 Da
Boiling point
192–193 °C
logP
3.71Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
7
Stereocentres
S, R, Rin SMILES atom order

Identifiers

CAS number
121-29-9
SMILES
C=C/C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(C)C(=O)OC)C2(C)C)CC1=O
InChIKey
VJFUPGQZSXIULQ-XIGJTORUSA-N
InChI
InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Cyclopropanecarboxylic acid, 3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propen-1-yl]-2,2-dimethyl-, (1S)-2-methyl-4-oxo-3-(2Z)-2,4-pentadien-1-yl-2-cyclopenten-1-yl ester, (1R,3R)-
  • Cyclopropaneacrylic acid, 3-carboxy-α,2,2-trimethyl-, 1-methyl ester, ester with 4-hydroxy-3-methyl-2-(2,4-pentadienyl)-2-cyclopenten-1-one
  • Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, [1R-[1α[S*(Z)],3β(E)]]-
  • Cyclopropanecarboxylic acid, 3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethyl-, (1S)-2-methyl-4-oxo-3-(2Z)-2,4-pentadienyl-2-cyclopenten-1-yl ester, (1R,3R)-
  • Pyrethrin
  • Pyrethrin 2
  • (+)-Pyrethronyl (+)-pyrethrate
  • Biospray S
  • Pyrethrum mist
  • Pyrethrin B

Work with Pyrethrin ii

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(+)-trans-Allethrin28434-00-662 % similar Allethrin584-79-262 % similar Allethrin84030-86-462 % similar Prallethrin23031-36-951 % similar Terallethrin15589-31-844 % similar [4-(Methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate34388-29-934 % similar Ethyl chrysanthemate97-41-632 % similar D-trans-Tetramethrin1166-46-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methylprednisone1247-42-3 Dexamethasone 9,11-epoxide24916-90-3 (3Ar,4R,5R,6as)-5-(benzoyloxy)hexahydro-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2H-cyclopenta[B]furan-2-one40834-88-6 Betamethasone 9,11-epoxide981-34-0

Elsewhere

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