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
   -2.1141    0.7445   -1.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7112    0.0352   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3347   -0.2191   -0.2498 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6319    0.3264    0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2427    1.1109    1.4685 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0528    0.0382    0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281   -0.7789   -0.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0112    0.6678    1.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5551   -1.1895   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1643   -0.0151   -2.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0843    1.2876   -1.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2922    1.4881   -1.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9732    0.7310    0.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5816   -0.9944   -0.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8766   -1.2773   -1.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6626    1.4297    0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4821    1.2227    2.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6279   -0.1072    1.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8464   -1.6080   -1.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1096   -1.9910    0.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5123   -0.9018    0.4423 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