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
    2.2658   -1.3990    0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246   -0.0526    0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2549   -0.1677   -0.1428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7538    0.3919    0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3991    1.0279    1.6531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1716    0.2557    0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1251    0.7871    0.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4871   -0.5151   -0.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    0.6558   -0.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1052   -2.0076   -0.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3665   -1.2119    0.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9424   -1.8637    1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6784    0.5428    1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8736    1.3353    1.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1447    0.6736    0.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6157   -0.5034   -1.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337   -1.5728   -0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4167   -0.1318   -1.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0646    1.4310   -0.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7769    1.1720   -1.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266   -0.0444   -1.3995 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