chempirical

Methyl 3,3-dimethyl-4-pentenoate

C8H14O2CAS 63721-05-1142.20 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C8H14O2
Molar mass
142.20 g/mol
Exact mass
142.0994 Da
Boiling point
59 °C (at 33 Torr)
logP
1.76Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
63721-05-1
SMILES
C=CC(C)(C)CC(=O)OC
InChIKey
MKLKDUHMZCIBSJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1-5-8(2,3)6-7(9)10-4/h5H,1,6H2,2-4H3

Weigh it out

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

Names and synonyms

3 names
  • 4-Pentenoic acid, 3,3-dimethyl-, methyl ester
  • 3,3-Dimethyl-4-pentenoic acid methyl ester
  • D 2153

Work with Methyl 3,3-dimethyl-4-pentenoate

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-butenoate3724-55-847 % similar Trimethyl citrate1587-20-843 % similar Methyl 1-(mercaptomethyl)cyclopropaneacetate152922-73-142 % similar Methyl 5-hexenoate2396-80-742 % similar Dimethyl succinate106-65-041 % similar Dimethyl malonate108-59-841 % similar Methyl 4,4-dimethyl-3-oxopentanoate55107-14-741 % similar Methyl 10-undecenoate111-81-941 % similar

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

Same formula

γ-Octalactone104-50-7 1-Methylcyclohexanecarboxylic acid1123-25-7 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 tert-Butyl 3-butenoate14036-55-6 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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