Monomers

Vinyl vinyl chloride

Identifiers

IUPAC name
1-chlorobuta-1,3-diene
InchI
InChI=1S/C4H5Cl/c1-2-3-4-5/h2-4H,1H2
InchI Key
PCPYTNCQOSFKGG-UHFFFAOYSA-N
SMILES
ClC=CC=C
Canonical SMILES
C=CC=CCl
Isomeric SMILES
C=CC=CCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5Cl
Heavy Atom Count
5
Molecular Weight
88.537
Exact Molecular Weight
88.008
Valence Electrons
28
Radical Electrons
0
tPSA
0.0
MolLogP
1.9249
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
    3.3465    0.2313    0.4304 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7400    0.2641   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520   -0.1046    0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6499   -0.0600   -0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7364   -0.0228   -0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5682    0.5691   -1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8941   -0.4238    1.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1703   -0.5082    1.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7454   -0.2800   -0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8988    0.3351   -1.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  2  6  1  0
  3  7  1  0
  4  8  1  0
  5  9  1  0
  5 10  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers