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
   -1.6780    0.0700   -0.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4177   -0.2761    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281    0.2390   -0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9857   -0.0782    0.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853    0.3945    0.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6374   -0.4716   -1.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5689   -0.2249    0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    1.1442   -0.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4906   -0.9625    0.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7854    0.9288   -1.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9390   -0.7633    1.2394 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