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
    1.6278   -0.0391    0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660   -0.3403   -0.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878    0.3521    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9644    0.0695   -0.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0033   -0.8266   -1.4405 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503   -0.9580    0.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170    0.3036    1.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2095    0.7561   -0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2989   -1.0916   -0.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6595    1.1374    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8544    0.6370   -0.2965 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