chempirical

Methyl 2,4-hexadienoate

C7H10O2CAS 1515-80-6126.15 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C7H10O2
Molar mass
126.15 g/mol
Exact mass
126.0681 Da
Density
0.9612 g/mL (at 20 °C)
Melting point
15 °C
Boiling point
180 °C
logP
1.29Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
1515-80-6
SMILES
CC=CC=CC(=O)OC
InChIKey
KWKVAGQCDSHWFK-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

2 names
  • 2,4-Hexadienoic acid, methyl ester
  • NSC 33701

Work with Methyl 2,4-hexadienoate

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

Methyl crotonate623-43-870 % similar Dimethyl maleate624-48-664 % similar Dimethyl fumarate624-49-764 % similar Ethyl sorbate2396-84-155 % similar (2E,4E,6Z)-Methyl deca-2,4,6-trienoate51544-64-053 % similar Methyl 3-methoxyacrylate34846-90-752 % similar Methyl trans-β-methoxyacrylate5788-17-052 % similar Butyl (2E,4E)-2,4-hexadienoate7367-78-448 % similar

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

Same formula

2-Methyl-1,3-cyclohexanedione1193-55-1 Cycloheptane-1,3-dione1194-18-9 3,4-Dimethyl 1,2-cyclopentandione13494-06-9 3,5-Dimethyl-1,2-cyclopentanedione13494-07-0 tert-Butyl propiolate13831-03-3 Methyl 3-methylenecyclobutanecarboxylate15963-40-3 2-Acetylcyclopentanone1670-46-8 2-Propen-1-yl 2-butenoate20474-93-5

Elsewhere

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