2-Methyl-4-pentenoic acid

C₆H₁₀O₂CAS 1575-74-2114.14 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₆H₁₀O₂
Molar mass: 114.14 g/mol
Exact mass: 114.0681 Da
Density: 0.956 g/mL (at 16 °C)
Boiling point: 188–189 °C (at 683 Torr)
logP: 1.28Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed41.6% of notifiers
H314 Causes severe skin burns and eye damage59.6% of notifiers
H318 Causes serious eye damage16.1% of notifiers

Aggregated from 161 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

1575-74-2

SMILES

C=CCC(C)C(=O)O

InChIKey

HVRZYSHVZOELOH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

4-Pentenoic acid, 2-methyl-
(±)-2-Methyl-4-pentenoic acid
α-Methyl-4-pentenoic acid

Work with 2-Methyl-4-pentenoic acid

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

2-(2-Propen-1-yl)propanedioic acid2583-25-761 % similar s-Allylglycine16338-48-055 % similar D-Allylglycine54594-06-855 % similar Allylglycine7685-44-155 % similar 2-Methylbutanoic acid116-53-052 % similar (+)-2-Methylbutanoic acid1730-91-252 % similar 2-Methylbutanoic acid600-07-752 % similar Beta-aminoisobutyric acid10569-72-950 % 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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