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
    2.4761   -1.0757    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6247    0.1360   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481   -0.1456   -0.1359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6569    0.4498    0.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1477    1.2654    1.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0756    0.1646    0.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8688    0.7544    1.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6397   -0.7906   -0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.7718   -1.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6632   -1.6225   -0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -0.6946    0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0564   -1.7814    0.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8441    0.8758    0.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4641    1.4517    2.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276    0.5637    1.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0025   -1.6857   -0.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7066   -0.2434   -1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6712   -1.0934    0.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7644    0.1382   -2.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6946    1.8116   -1.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2050    0.7499   -1.4201 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