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
   -2.1752   -1.4308    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6170   -0.1003   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3321    0.0274    0.1892 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8199    0.0546   -0.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6599   -0.0450   -1.8111 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1631    0.1869   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2421    0.2091   -0.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.3029    1.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5654    0.9766    0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9432   -1.4790    1.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2494   -1.4757   -0.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6622   -2.2931   -0.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6550   -0.1818   -1.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1769    0.1274   -1.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2383    0.3083   -0.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3814    0.1720    1.7467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9694    1.3121    1.7191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6737   -0.4242    1.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2264    1.4816    1.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627    1.7276   -0.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5710    0.5435    0.2868 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