Monomers
3-Chloro-2-methylpropene
Identifiers
IUPAC name
3-chloro-2-methylprop-1-ene
InchI
InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3
InchI Key
OHXAOPZTJOUYKM-UHFFFAOYSA-N
SMILES
CC(=C)CCl
Canonical SMILES
CC(=C)CCl
Isomeric SMILES
CC(=C)CCl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H7Cl
Heavy Atom Count
5
Molecular Weight
90.553
Exact Molecular Weight
90.0236
Valence Electrons
30
Radical Electrons
0
tPSA
0.0
MolLogP
1.8013
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
12 11 0 0 0 0 0 0 0 0999 V2000
-1.2310 -0.5760 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0098 0.1865 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0386 1.5135 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2311 -0.5296 -0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8124 -1.5872 0.8901 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1410 -0.0018 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2882 -1.5465 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3558 -0.7029 1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8407 2.1038 -0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9307 2.0549 0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0551 -1.0936 -1.3615 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0558 0.1789 -0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 1 0
1 6 1 0
1 7 1 0
1 8 1 0
3 9 1 0
3 10 1 0
4 11 1 0
4 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers