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
   -3.0350   -1.1401    0.5944 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7657   -0.0532    0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5120   -0.3579    0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.5046    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8256    0.1262    0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0220    0.8658   -0.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2943   -1.3091    0.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457    1.4479   -0.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6924    0.7355    0.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0654   -0.8196    0.7669 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