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
    1.7309    0.4396    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5720    0.0886   -0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5534   -0.0859    0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7222   -0.4375   -0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453    0.5947    1.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5664    0.5711   -0.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4043   -0.0814   -1.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    0.0752    1.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.5982   -1.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5519   -0.5662    0.6300 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