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
2.1963 -2.2745 0.9683 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.7773 -1.2545 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5258 -0.3822 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6572 0.4632 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8637 1.3177 -0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0652 -1.3261 1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2430 -0.3170 -0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3942 0.4257 0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1524 1.4071 -1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7403 1.9406 -0.9588 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