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
-1.4464 0.2242 0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0305 0.0730 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7940 0.7438 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 -0.7921 -0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4383 -0.7010 -0.7328 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7912 0.6219 -0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7295 0.8995 1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9648 -0.7469 0.3313 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8891 0.6710 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3530 1.3939 1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3871 -0.5405 -1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3602 -1.8468 -0.6796 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