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
-1.2679 -0.3968 -0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0126 0.1698 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0794 1.4699 0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1499 -0.6766 0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6823 -1.5008 -1.0925 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.9460 -0.7914 0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9792 -1.2275 -1.1716 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8700 0.3609 -1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7570 2.1212 0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9964 1.9102 0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9325 -1.4196 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9923 -0.0194 0.6908 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