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
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
2.6249 1.7551 0.8823 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 1.0619 0.9336 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5971 0.2568 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7388 -0.3203 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1469 -1.1226 -0.9393 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4137 1.3347 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2789 0.0464 -0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4030 -0.0970 0.8378 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1390 -1.5421 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5079 -1.3729 -1.7793 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