Monomers

Crotonaldehyde

Identifiers

IUPAC name
(E)-but-2-enal
InchI
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
InchI Key
MLUCVPSAIODCQM-NSCUHMNNSA-N
SMILES
C/C=C/C=O
Canonical SMILES
CC=CC=O
Isomeric SMILES
C/C=C/C=O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O
Heavy Atom Count
5
Molecular Weight
70.091
Exact Molecular Weight
70.0419
Valence Electrons
28
Radical Electrons
0
tPSA
17.07
MolLogP
0.7614
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -1.6315    0.5610    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1910    0.3008    0.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5132   -0.4445   -0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312   -0.6939   -0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4864   -0.1540    0.6749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9562    0.5160   -0.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1727   -0.1977    0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8387    1.5586    0.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3506    0.7409    1.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0035   -0.8808   -1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5123   -1.3064   -1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  1  6  1  0
  1  7  1  0
  1  8  1  0
  2  9  1  0
  3 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers