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
2.8996 -0.5138 -1.3532 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.7294 -0.0728 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4571 -0.1696 -0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5375 0.1934 0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8321 0.1189 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0806 0.2566 0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1290 -0.5069 -1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2134 0.5255 1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5553 0.3847 0.9972 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1576 -0.2160 -0.7095 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