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
   -2.5659    0.6796   -0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6634   -0.3426    0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3591   -0.1095   -0.2856 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6506    0.1980    0.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3923    0.2652    1.8067 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9784    0.4326    0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2465    0.3592   -1.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0559    0.7650    1.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0416   -1.7546   -0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2783    1.0578    0.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0570    0.1725   -1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9727    1.5232   -0.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765   -0.2356    1.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238    0.5324   -1.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4296    0.1160   -1.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9603    0.0266    1.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8257    1.8094    1.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0471    0.7157    0.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0266   -2.0549    0.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2113   -2.4077    0.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9577   -1.7484   -1.3641 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