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
    2.5476    0.6925   -0.0325 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6192   -0.7533    0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161   -0.7118    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3783    0.5577   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6906    0.6478   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998   -1.6848    0.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3157   -1.5840    0.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2376    1.4408   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1275    1.6202   -0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3082   -0.2250   -0.0357 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