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
    1.6522    0.2884    0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3058   -0.2914    0.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6392   -0.0266   -0.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9627   -0.6087   -0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347   -1.3903    0.5018 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    0.3100    1.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6248    1.3732   -0.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630   -0.2904   -0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0360   -0.9594    1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4365    0.6375   -1.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6950   -0.3656   -1.1571 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