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
    3.2268    0.4081    0.2069 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6950    0.2322   -0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676    0.0663    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137   -0.0816   -0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872   -0.2430    0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751    0.2609   -1.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6509    0.0451    1.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7864   -0.0598   -1.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7710   -0.2725    1.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7572   -0.3557   -0.2998 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