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
    1.3070   -0.5101   -1.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6277    0.2447   -0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417   -0.2425    0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3188    0.5129    1.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9703   -1.4782   -1.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2350   -0.1358   -1.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0052    1.2288    0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0051   -1.2232   -0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    1.4622    1.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520    0.1412    1.4921 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