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
    1.3200    0.3957   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1243    0.1721    0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9244    1.1839    0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6679   -1.1814   -0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0341   -2.3714    0.9002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8712   -0.0120    0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069    1.4545   -0.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7589   -0.1567   -0.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5488    2.1754    0.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9927    1.0069    0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7808   -1.1851   -0.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4839   -1.4818   -1.3152 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