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
    0.6155    0.6486    1.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5799    0.0006    0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5956    0.0033   -0.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5977   -0.6564   -1.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2554    1.2123    1.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870    0.6283    2.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4588   -0.5492    0.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    0.5641   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2458   -1.2202   -1.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4799   -0.6314   -2.1768 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