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
    2.2194    1.4224    0.7406 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7938   -0.1780    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5419   -0.5336   -0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550    0.3944    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8204    0.0650   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6075   -0.8678    0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3170   -1.5286   -0.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3608    1.3995    0.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1107   -0.9273   -0.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6326    0.7540    0.1532 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