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
   -2.3761    0.1773    1.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6488   -0.2554    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -0.1587    0.1254 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5397    0.6781   -0.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0243    1.3748   -1.5021 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9785    0.6792   -0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754    1.4519   -1.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5927   -0.1849    0.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0298   -1.6368   -0.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7706   -0.0504    2.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3776   -0.2989    1.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5597    1.2716    1.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757    0.4405   -0.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8459    1.4714   -0.9764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448    2.0916   -1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5280    0.3799    1.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9919   -1.1025    0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560   -0.3840    0.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8038   -1.7040   -1.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0932   -1.8633   -0.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3348   -2.3774    0.0376 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