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
1.3819 -0.5149 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0296 0.1031 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0840 1.3918 0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 -0.6848 -0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6047 0.3841 0.1083 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.7706 -0.8779 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3546 -1.3332 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0792 0.2740 -0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0622 1.8569 0.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8295 1.9678 0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2380 -0.9977 -1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2493 -1.5692 0.5391 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