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
1.3396 -0.4768 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0025 0.2096 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0891 1.5287 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2332 -0.6068 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4340 -1.7154 -1.2382 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.2382 -1.3548 -0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6105 -0.7461 1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0808 0.2367 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0553 2.0059 0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8268 2.0980 -0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1139 0.0317 0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1729 -1.2108 1.0557 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