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
   -1.6792   -0.1482   -2.1879 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6961   -0.4045   -0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6308   -0.2183    0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6458    0.2122   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6705    0.3806    0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6052   -0.7281    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7210   -0.4002    1.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7827    0.4035   -1.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5921    0.1999    1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6410    0.7032    0.2310 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