chempirical

Methyl dihydrojasmonate

C13H22O3CAS 24851-98-7226.32 g/mol

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Properties

Molecular formula
C13H22O3
Molar mass
226.32 g/mol
Exact mass
226.1569 Da
logP
2.73Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
24851-98-7
SMILES
CCCCCC1C(=O)CCC1CC(=O)OC
InChIKey
KVWWIYGFBYDJQC-UHFFFAOYSA-N
InChI
InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester
  • Methyl (2-pentyl-3-oxocyclopentyl)acetate
  • Kharismal
  • Hedione
  • Methyl (3-oxo-2-pentylcyclopentyl)acetate
  • MDJ
  • 2-[3-Oxo-2-(pentan-1-yl)cyclopentyl]acetic acid methyl ester
  • Dihydrojasmonic acid methyl
  • Methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
  • Methyl 2-(3-oxo-2-pentylcyclopentyl)ethanoate

Work with Methyl dihydrojasmonate

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

Similar compounds

Propyl 3-oxo-2-pentylcyclopentaneacetate158474-72-773 % similar Methyl jasmonate1211-29-660 % similar Methyl 3-oxo-2-(2-penten-1-yl)cyclopentaneacetate39924-52-260 % similar Methyl hexanoate106-70-750 % similar Methyl 12-hydroxystearate141-23-149 % similar Methyl heptanoate106-73-049 % similar Methyl decanoate110-42-949 % similar Methyl octanoate111-11-549 % similar

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

Elsewhere

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