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
    2.3967   -0.8220   -0.6834 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7331    0.4483    0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4098    0.5098    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417   -0.4147   -0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.3307   -0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3835    1.1229    0.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0654    1.2773    0.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0554   -1.2191   -0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4293   -1.0141   -0.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1812    0.4423    0.3836 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