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
   -1.4596   -2.8499   -0.7445 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8453   -1.2370   -0.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2523   -0.6251    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2867    0.7258   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743    1.3318    0.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9175   -0.6911   -1.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1418   -1.1141    1.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1988    1.2445   -1.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0051    0.8872    1.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2514    2.3279    0.7882 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