(E)-2-Methyl-2-pentenoic acid

C₆H₁₀O₂CAS 16957-70-3114.14 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: 0.976–0.982 g/mL
Melting point: 24.4 °C
Boiling point: 214 °C
logP: 1.43Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage68.8% of notifiers

Aggregated from 685 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

16957-70-3

SMILES

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

InChIKey

JJYWRQLLQAKNAD-SNAWJCMRSA-N

InChI

InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+

Weigh it out

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

Names and synonyms

7 names

2-Pentenoic acid, 2-methyl-, (2E)-
2-Pentenoic acid, 2-methyl-, (E)-
(2E)-2-Methyl-2-pentenoic acid
trans-2-Methyl-2-pentenoic acid
(E)-2-Methyl-2-pentenoyl chloride
(2E)-2-Methylpent-2-enoic acid
2-Methyl-2-pentenoic acid

Work with (E)-2-Methyl-2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Methylpent-2-en-1-oic acid3142-72-1

Similar compounds

cis-α,β-Dimethylacrylic acid565-63-952 % similar Tiglic acid80-59-152 % similar Citraconic acid498-23-748 % similar Mesaconic acid498-24-848 % similar 4-Ethyl-2-methyl-2-octenoic acid6975-97-942 % similar α-Methylcinnamic acid1199-77-541 % similar Crocetin27876-94-441 % similar 2-Methyl-2-pentene625-27-438 % 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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