chempirical

Geranyl isovalerate

C15H26O2CAS 109-20-6238.37 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C15H26O2
Molar mass
238.37 g/mol
Exact mass
238.1933 Da
logP
4.27Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
109-20-6
SMILES
CC(C)=CCC/C(C)=C/COC(=O)CC(C)C
InChIKey
SOUKTGNMIRUIQN-NTEUORMPSA-N
InChI
InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+

Weigh it out

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

Names and synonyms

7 names
  • Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
  • Isovaleric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
  • Butanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
  • Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
  • Geranyl 3-methylbutanoate
  • Isovaleric acid geranyl ester
  • Geraniol isovalerate

Work with Geranyl isovalerate

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-tetradecatrienoate51-77-471 % similar Geranyl propionate105-90-868 % similar Geranyl butyrate106-29-666 % similar Geranyl isobutyrate2345-26-862 % similar Geranyl acetate105-87-360 % similar Neryl acetate141-12-860 % similar 3,7-Dimethyl-2,6-octadienyl acetate16409-44-260 % similar Geranyl acetate8022-83-160 % similar

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

Same formula

Isobornyl isovalerate7779-73-9 (Trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-carboxylic acid84976-67-0

Elsewhere

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