Monomers

1,3-Butadiene

Identifiers

IUPAC name
buta-1,3-diene
InchI
InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InchI Key
KAKZBPTYRLMSJV-UHFFFAOYSA-N
SMILES
C=CC=C
Canonical SMILES
C=CC=C
Isomeric SMILES
C=CC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6
Heavy Atom Count
4
Molecular Weight
54.092
Exact Molecular Weight
54.047
Valence Electrons
22
Radical Electrons
0
tPSA
0.0
MolLogP
1.3584
H Bond Acceptors
0
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

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.6585   -0.6495   -0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7079    0.1931    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6872   -0.1980   -0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6622    0.6398    0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811   -0.3266   -0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939   -1.6534   -0.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9781    1.2029    0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9132   -1.2088   -0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7012    0.3443    0.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4556    1.6562    0.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  1  5  1  0
  1  6  1  0
  2  7  1  0
  3  8  1  0
  4  9  1  0
  4 10  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers