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
    1.7294    0.1944   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    0.3859   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6140   -0.5121    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0232   -0.2242    0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8944   -1.0732    0.4635 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1486    0.7082   -1.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0338   -0.8668   -0.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1374    0.7330    0.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0816    1.3679   -0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3126   -1.4855    0.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3888    0.7722   -0.1504 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