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
   -2.0182    0.5475    1.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6012    0.3066    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2819   -0.1728    0.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6886    0.5663   -0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199    1.6584   -1.0111 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0665    0.1193   -0.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9356    0.8691   -1.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5162   -1.1635   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5730   -0.7001   -0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520   -0.4460    2.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9299    1.1881    1.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407    1.0959    2.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6786    1.2792   -0.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9768    0.5784   -1.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6363    1.8125   -1.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0014   -1.3641    0.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5979   -1.1955    0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2696   -2.0317   -0.6851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5359   -0.2281   -0.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1289   -1.2624   -1.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7686   -1.4570    0.4544 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