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
-1.2597 -0.6034 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0024 0.1554 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1157 1.0415 1.1027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1449 -0.0601 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7149 -1.7454 -0.7589 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2150 -1.6227 0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5404 -0.6903 -1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1260 -0.1003 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0132 1.6232 1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7094 1.2117 1.7843 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8551 0.2055 -1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0092 0.5849 -0.5447 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