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
    1.9518    1.7092    0.4516 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7876    0.0349   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867   -0.4829   -0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997    0.3411    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8163   -0.1435   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6485   -0.5879   -0.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4722   -1.5440   -0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4139    1.3811    0.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9374   -1.1668   -0.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6794    0.4587    0.1512 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