Methyl jasmonate

C13H20O3CAS 1211-29-6224.30 g/mol

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AlkeneEsterKetone

Properties

Molecular formula
C13H20O3
Molar mass
224.30 g/mol
Exact mass
224.1412 Da
Density
1.021 g/mL (at 22.6 °C)
Melting point
25 °C
Boiling point
93 °C (at 0.02 Torr)
logP
2.50Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5
Stereocentres
R, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 89 ECHA notifiers. Aggregated from 89 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1211-29-6
SMILES
CC/C=CC[C@H]1C(=O)CC[C@@H]1CC(=O)OC
InChIKey
GEWDNTWNSAZUDX-WQMVXFAESA-N
InChI
InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-penten-1-yl-, methyl ester, (1R,2R)-
  • Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, (Z)-trans-
  • Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, [1R-[1α,2β(Z)]]-
  • Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, methyl ester, (1R,2R)-
  • Methyl cis-jasmonate
  • (-)-Methyl jasmonate
  • Jasmonic acid methyl ester
  • (-)-Jasmonic acid methyl ester
  • (3R,7R)-Methyl jasmonate
  • Methyl jasmonic acid
  • (Z)-Methyl jasmonate
  • (1R,2R)-Jasmonic acid methyl ester
  • Methyl 2-((1R,2R)-3-oxo-2-((Z)-pent-2-en-1-yl)cyclopentyl)acetate

Work with Methyl jasmonate

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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methyl 3-oxo-2-(2-penten-1-yl)cyclopentaneacetate39924-52-2Stereo not defined

Similar compounds

Methyl dihydrojasmonate24851-98-760 % similar Propyl 3-oxo-2-pentylcyclopentaneacetate158474-72-743 % similar Methyl linolenate301-00-842 % similar Methyl β-oxocyclopropanepropanoate32249-35-736 % similar Methyl 4-methyl-3-oxopentanoate42558-54-336 % similar Methyl 3-hydroxyhexanoate21188-58-936 % similar Dimethyl 3-methylglutarate19013-37-736 % similar Methyl isovalerate556-24-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Triethyl orthobenzoate1663-61-2 2-(1-Hydroxy-3-methylbutylidene)-5,5-dimethyl-1,3-cyclohexanedione172611-72-2 Nonenylsuccinic anhydride28928-97-4 1-Butoxy-3-phenoxy-2-propanol3102-00-9

Elsewhere

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