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
   -1.6982   -0.0983   -0.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5114    0.4112   -0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142   -0.3885    0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7045    0.0784    0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9180   -1.1197   -0.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4536    0.5001   -1.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3154    1.4605   -0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -1.4111    0.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348    1.0956    0.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498   -0.5281    1.0127 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