chempirical

2-Methyl-2-pentenal

C6H10OCAS 623-36-998.14 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C6H10O
Molar mass
98.14 g/mol
Exact mass
98.0732 Da
Density
0.8626 g/mL (at 19 °C)
Boiling point
136.5 °C
logP
1.54Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
623-36-9
SMILES
CCC=C(C)C=O
InChIKey
IDEYZABHVQLHAF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 2-Pentenal, 2-methyl-
  • α-Methyl-β-ethylacrolein
  • 2-Methyl-2-pentene-1-al
  • 2-Methyl-3-ethylacrolein
  • β-Ethyl-α-methylacrolein
  • 2-Methyl-2-penten-1-al
  • NSC 9464
  • 2,4-Dimethylcrotonaldehyde
  • 2-Methyl-2-pentanal

Work with 2-Methyl-2-pentenal

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

(E)-2-Methyl-2-pentenal14250-96-5100 % similar 4-(Acetyloxy)-2-methyl-2-butenal14918-80-047 % similar trans-2-Methyl-2-butenal497-03-046 % similar 2-Methyl-2-pentene625-27-443 % similar (E)-2-Methyl-2-pentenoic acid16957-70-337 % similar 2-Methyl-2-pentenoic acid3142-72-137 % similar α-Methylcinnamaldehyde101-39-335 % similar Propionaldehyde123-38-635 % similar

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

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexen-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

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