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
-1.1782 -0.5611 -0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0054 0.2309 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1368 1.5248 0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2831 -0.4930 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0118 -1.8022 1.3399 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1237 -0.0674 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0810 -0.5755 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1280 -1.5652 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0421 2.0752 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7558 2.0480 0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1188 0.1549 0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5257 -0.9694 -0.8257 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