chempirical

trans-3,7-Dimethyl-2,6-octadienyl 5,9,13-trimethyl-4,8,12-tetradecatrienoate

C27H44O2CAS 51-77-4400.65 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C27H44O2
Molar mass
400.65 g/mol
Exact mass
400.3341 Da
Density
0.91 g/mL
Melting point
below 25 °C
Boiling point
166.5 °C
logP
8.42Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
14
Double bonds
E, EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
51-77-4
SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)OC/C=C(C)CCC=C(C)C
InChIKey
ZPACYDRSPFRDHO-ROBAGEODSA-N
InChI
InChI=1S/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3/b24-16+,25-18+,26-20+

Weigh it out

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

Names and synonyms

17 names · show all
  • 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester, (4E,8E)-
  • 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,E,E)-
  • 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester, (4E,8E)-
  • Gefarnate
  • 5,9,13-Trimethyl-4,8,12-tetradecatrienoic acid 3,7-dimethyl-2,6-octadienyl ester
  • Geranyl farnesylacetate
  • DA 688
  • Gefarnil
  • Gefarnyl
  • Gefanil
  • Alsanate
  • Dixnalate
  • Salanil
  • Gefulcer
  • Arsanyl
  • Zackal
  • Osteol

Work with trans-3,7-Dimethyl-2,6-octadienyl 5,9,13-trimethyl-4,8,12-tetradecatrienoate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Geranyl butyrate106-29-680 % similar Geranyl propionate105-90-877 % similar Farnesyl acetate29548-30-971 % similar Geranyl isovalerate109-20-671 % similar Geranyl acetate105-87-369 % similar Neryl acetate141-12-869 % similar 3,7-Dimethylocta-2,6-dienyl acetate16409-44-269 % similar Geranyl acetate8022-83-169 % similar

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

Same formula

Calcifediol19356-17-3 Alfacalcidol41294-56-8

Elsewhere

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