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
Resources
cid=

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
   -0.8282   -1.0640    0.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069    0.1832   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7473    1.3171   -0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3578    0.1405   -0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9988   -0.4779    1.3255 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6092   -1.8800   -0.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5325   -1.4118    1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9300   -0.9354    0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8452    1.3137   -0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2491    2.2723   -0.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839   -0.5966   -1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8080    1.1389   -0.4280 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