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
   -1.3400    0.2934   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4087   -0.8175   -0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9007   -0.6827   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5223    0.5561    0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8057    1.5468    0.5335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1095    1.1222   -0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3019    0.6804    1.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3890   -0.0093   -0.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103   -1.7613   -0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5415   -1.5277   -0.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5892    0.5994    0.3994 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