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
   -0.9420    1.3044    2.8939 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4541    1.2184    1.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860    0.0567    0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2150    0.0271   -0.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4916   -1.1069   -1.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3812    2.1403    0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2576   -0.8677    1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2958    0.9327   -1.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7861   -1.0901   -2.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4325   -2.0659   -0.8387 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