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
   -2.4571   -0.2390   -1.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6475   -0.0010    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2635   -0.1686   -0.0839 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6789    0.8249    0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2785    1.9554    0.4469 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852    0.5312   -0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989    1.4674    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5493   -0.8138   -0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740   -0.8555    1.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8631    0.0908   -1.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8254   -1.2755   -1.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3579    0.4080   -1.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8019    1.0552    0.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6646    2.4493    0.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0581    1.2918   -0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6595   -1.4114   -0.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1329   -0.6545   -1.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1653   -1.2994    0.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2787   -0.3030    2.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4657   -1.7073    1.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1364   -1.3450    0.9809 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