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
2.4736 2.1178 -0.0244 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.6529 0.5895 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3514 0.5185 -0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4016 -0.7058 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6957 -0.6976 -0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2101 -0.3052 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1820 1.4508 -0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1095 -1.6265 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2286 0.2469 -0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2896 -1.5884 -0.2799 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