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
    2.4733    1.0400   -0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6466   -0.0698   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3231   -0.0678   -0.4633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7279    0.1137    0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135    0.2751    1.6290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1147    0.1152   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3569   -0.0616   -1.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1939    0.3146    0.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3610   -1.3799   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2978    1.9647   -0.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5338    0.7275   -0.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831    1.1492   -1.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6543    0.0909    1.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4058   -0.0546   -1.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5698   -0.2057   -2.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9221    1.0416    0.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7474   -0.6457    1.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7711    0.7326    1.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7607   -2.2383    0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2854   -1.3483    0.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7044   -1.4935   -1.3140 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