Methyl pent-3-enoate

C₆H₁₀O₂CAS 20515-19-9114.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀O₂
Molar mass: 114.14 g/mol
Exact mass: 114.0681 Da
logP: 1.13Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways17% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

20515-19-9

SMILES

C/C=C/CC(=O)OC

InChIKey

KJALUUCEMMPKAC-ONEGZZNKSA-N

InChI

InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3-4H,5H2,1-2H3/b4-3+

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Names and synonyms

1 names

Methyl (E)-3-pentenoate

Work with Methyl pent-3-enoate

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

Methyl 3-butenoate3724-55-856 % similar Dimethyl succinate106-65-050 % similar Dimethyl malonate108-59-850 % similar Dimethyl glutarate1119-40-048 % similar Methyl (methylthio)acetate16630-66-346 % similar Methyl propionate554-12-146 % similar Dimethyladipate627-93-046 % similar Dimethyl sebacate106-79-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 Beta-Methyl-delta-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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