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
   -2.1938    0.8674   -1.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    0.0365   -0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2328   -0.0684   -0.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6453    0.4100    0.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1679    1.0049    1.8001 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0734    0.2201    0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9020    0.6848    1.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5596   -0.4973   -0.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3237   -1.2916   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2959    0.7388   -1.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8638    0.4931   -2.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8677    1.9091   -1.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746    0.5832    0.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    0.5872    1.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234    1.1989    2.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0731   -1.4480   -0.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2298    0.1900   -1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7003   -0.7376   -1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414   -1.1906    0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6596   -1.6540   -1.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6663   -2.0365    0.5000 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