chempirical

Geranyl formate

C11H18O2CAS 105-86-2182.26 g/mol

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AlkeneEster

Properties

Molecular formula
C11H18O2
Molar mass
182.26 g/mol
Exact mass
182.1307 Da
Density
0.91 g/mL
Boiling point
103–105 °C (at 10 Torr)
logP
2.85Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
105-86-2
SMILES
CC(C)=CCC/C(C)=C/COC=O
InChIKey
FQMZVFJYMPNUCT-YRNVUSSQSA-N
InChI
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+

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

Names and synonyms

9 names
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-formate, (2E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (E)-
  • Geraniol formate
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (2E)-
  • trans-3,7-Dimethyl-2,6-octadien-1-yl formate
  • trans-2,6-Dimethyl-2,6-octadien-8-yl methanoate
  • (E)-3,7-Dimethyl-2,6-octadienyl formate
  • NSC 21736
  • (E)-3,7-Dimethyl-2,6-octadien-1-ol formate

Work with Geranyl formate

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

Geranyl ethyl ether40267-72-959 % similar Geranyl acetate105-87-358 % similar Neryl acetate141-12-858 % similar 3,7-Dimethyl-2,6-octadienyl acetate16409-44-258 % similar Geranyl acetate8022-83-158 % similar Farnesyl acetate29548-30-957 % similar trans-3,7-Dimethyl-2,6-octadienyl 5,9,13-trimethyl-4,8,12-tetradecatrienoate51-77-457 % similar Squalene111-02-457 % similar

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

Same formula

Ethyl 2-nonynoate10031-92-2 10-Undecynoic acid2777-65-3 (Z)-3-Hexenyl tiglate67883-79-8

Elsewhere

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