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
   -1.7043    0.1839    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457    0.0797    0.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5816   -0.1333   -0.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0070   -0.2328   -0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7637   -0.4316   -1.4509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8918    1.1882   -0.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449   -0.6201   -0.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2151    0.1575    1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1692    0.1757    1.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800   -0.2332   -1.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002   -0.1340    0.5043 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