Monomers

Isopropyl methacrylate

Identifiers

IUPAC name
propan-2-yl 2-methylprop-2-enoate
InchI
InChI=1S/C7H12O2/c1-5(2)7(8)9-6(3)4/h6H,1H2,2-4H3
InchI Key
BOQSSGDQNWEFSX-UHFFFAOYSA-N
SMILES
CC(OC(=O)C(=C)C)C
Canonical SMILES
CC(C)OC(=O)C(=C)C
Isomeric SMILES
CC(C)OC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5141
H Bond Acceptors
2
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

 21 20  0  0  0  0  0  0  0  0999 V2000
   -2.3539   -0.3758    1.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6412    0.3572   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2998   -0.0749   -0.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7713    0.7299    0.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5567    1.9343    0.4762 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1106    0.1614    0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1516    0.9237    0.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464   -1.2623   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273    0.1075   -1.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4441   -0.2336    0.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0871   -1.4715    0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9160   -0.0194    1.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6820    1.4355    0.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1583    0.5483    0.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158    1.9606    0.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0595   -1.7463    0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8235   -1.2852   -1.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4045   -1.8416   -0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3743   -0.2255   -1.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4112    1.0685   -1.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8612   -0.6909   -2.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  2  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers