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
    2.2968   -1.0191   -0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6611    0.0794    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2975    0.0891   -0.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7242   -0.1793    0.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3952   -0.4479    2.0263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1368   -0.1631    0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0311   -0.4347    1.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5776    0.1573   -0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740    1.3594   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6162   -1.8881   -0.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5952   -0.5816   -1.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2588   -1.2949   -0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8652   -0.1697    1.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355   -0.6648    2.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0704   -0.4246    1.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6408    1.2472   -1.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5952   -0.2619   -1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8902   -0.3280   -1.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034    1.2662    0.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276    2.2480    0.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    1.4109   -1.1133 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