chempirical

tert-Butyl 3-butenoate

C8H14O2CAS 14036-55-6142.20 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

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

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

Methyl 3-butenoate3724-55-855 % similar tert-Butyl propionate20487-40-552 % similar tert-Butyl chloroacetate107-59-550 % similar tert-Butyl bromoacetate5292-43-350 % similar 1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-847 % similar Glycine tert-butyl ester hydrochloride27532-96-345 % similar Mono-tert-butyl malonate40052-13-945 % similar tert-Butyl acrylate1663-39-445 % 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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