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
3.2268 0.4081 0.2069 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.6950 0.2322 -0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5676 0.0663 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7137 -0.0816 -0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7872 -0.2430 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6751 0.2609 -1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6509 0.0451 1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7864 -0.0598 -1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7710 -0.2725 1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7572 -0.3557 -0.2998 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