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
   -2.6240    0.6567   -0.2795 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1762    1.2904    0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0216    0.6381    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0974   -0.6243   -0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2636   -1.2199   -0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1896    2.2141    0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8681    1.0695    0.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7581   -1.0575   -0.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1463   -0.7907    0.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -2.1764   -0.9215 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