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
-1.3278 -0.5133 0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1022 -0.1443 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0228 -1.0620 -0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4352 1.3069 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1623 1.5943 -0.1377 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.9169 -0.3061 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8077 0.1074 0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4396 -1.5601 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7457 -2.1017 -0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0666 -0.8253 -0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0773 1.8339 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0344 1.6703 1.0188 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