chempirical

Geranyl propionate

C13H22O2CAS 105-90-8210.32 g/mol

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AlkeneEster

Properties

Molecular formula
C13H22O2
Molar mass
210.32 g/mol
Exact mass
210.1620 Da
Boiling point
95–98 °C (at 5 Torr)
logP
3.63Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
105-90-8
SMILES
CCC(=O)OC/C=C(C)CCC=C(C)C
InChIKey
BYCHQEILESTMQU-FMIVXFBMSA-N
InChI
InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+

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

Names and synonyms

10 names
  • trans-3,7-Dimethyl-2,6-octadienyl propionate
  • (E)-3,7-Dimethyl-2,6-octadien-1-ol propanoate
  • Geranyl propanoate
  • Geraniol propionate
  • Geraniol propanoate
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (E)-
  • Propionic acid, geranyl ester
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2E)-

Work with Geranyl propionate

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

trans-3,7-Dimethyl-2,6-octadienyl 5,9,13-trimethyl-4,8,12-tetradecatrienoate51-77-477 % similar Geranyl butyrate106-29-676 % similar Geranyl isovalerate109-20-668 % similar Geranyl acetate105-87-365 % similar Neryl acetate141-12-865 % similar 3,7-Dimethyl-2,6-octadienyl acetate16409-44-265 % similar Geranyl acetate8022-83-165 % similar Farnesyl acetate29548-30-963 % similar

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

Same formula

Linalyl propionate144-39-8 Hydroxymethylpentylcyclohexenecarboxaldehyde31906-04-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook