chempirical

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

C6H10O2CAS 16957-70-3114.14 g/mol

Open in Covalent MOL file
OOH
AlkeneCarboxylic acid

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
Melting point
24.4 °C
Boiling point
214 °C
logP
1.43Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

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.

Names and synonyms

6 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

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

Similar compounds

2-Methyl-2-pentenoic acid3142-72-1100 % similar Angelic acid565-63-952 % similar Tiglic acid80-59-152 % similar Citraconic acid498-23-748 % similar Mesaconic acid498-24-848 % 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 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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