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
   -2.1599   -0.5038    1.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6014    0.2500    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798   -0.1759   -0.1664 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7261    0.7669   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5037    1.9855    0.1249 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0853    0.3504   -0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0487    1.2510   -0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499   -1.0807   -0.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4424   -0.1447   -1.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2606   -0.6075    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9834    0.0351    2.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640   -1.5471    1.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6681    1.3302    0.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8509    2.2814   -0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0608    0.9577   -0.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5334   -1.5106   -1.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4537   -1.6724    0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3067   -1.1663   -1.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261    0.3643   -1.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2292   -1.2317   -1.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5045    0.0683   -0.9490 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