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
    3.2922    0.3502   -0.0927 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6801   -0.2446   -0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6023    0.2506    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6975   -0.2657   -0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8300    0.1929    0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5870   -1.0378   -1.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7402    1.0396    0.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7657   -1.0545   -1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8197    0.9828    1.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7888   -0.2134   -0.0199 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