tert-Butyl 3-butenoate

C₈H₁₄O₂CAS 14036-55-6142.20 g/mol

Open in Covalent MOL file

Alkene Ester

Properties

Molecular formula: C₈H₁₄O₂
Molar mass: 142.20 g/mol
Exact mass: 142.0994 Da
logP: 1.90Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

14036-55-6

SMILES

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

InChIKey

NGASWKRTXGWPNN-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O2/c1-5-6-7(9)10-8(2,3)4/h5H,1,6H2,2-4H3

Weigh it out

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

Work with tert-Butyl 3-butenoate

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

1,3-Bis(1,1-dimethylethyl) propanedioate541-16-256 % similar Methyl 3-butenoate3724-55-855 % similar tert-Butyl propionate20487-40-552 % similar tert-Butyl chloroacetate107-59-550 % similar tert-Butyl 2-hydroxyacetate50595-15-850 % similar tert-Butyl bromoacetate5292-43-350 % similar GLYCINE t-BUTYL ESTER6456-74-250 % similar Di-tert-butyl iminodiacetate85916-13-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

γ-Octalactone104-50-7 1-Methylcyclohexanecarboxylic acid1123-25-7 1-Acetylcyclohexanol1123-27-9 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 Cypionic acid140-77-2 2,5-Dimethyl-3-hexyne-2,5-diol142-30-3 Cycloheptanecarboxylic acid1460-16-8 2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-4

Elsewhere

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