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
    2.2092   -1.1570   -0.7869 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7245    0.3659   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894    0.5750    0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4965   -0.4795    0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7350   -0.2503    0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4434    1.1583   -0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1704    1.5157    0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2693   -1.4552   -0.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5074   -0.9961    0.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0287    0.7233    0.9199 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