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
   -1.2716   -0.5076   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0140    0.2020    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    1.5078    0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546   -0.5621    0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5010   -1.3238   -1.4890 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3668   -0.8460   -1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1713    0.1051    0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3304   -1.3999    0.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9155    2.0585    0.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9291    2.0317    0.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2506   -1.3558    0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1291    0.0901    0.3523 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