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
    1.2825   -1.0140   -1.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7246   -0.0990   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7130    0.1156   -0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2749    1.0258    0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457   -1.6384   -1.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3490   -1.1831   -1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3425    0.5209    0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3233   -0.5254   -0.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6915    1.6587    1.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3416    1.1390    0.5613 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