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
    2.3274    1.2804    0.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5698    0.1714   -0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2766   -0.0112    0.2107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866    0.1506   -0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170    0.4950   -1.6873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1749   -0.0660    0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3181    0.0839   -0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1729   -0.4694    1.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3813   -1.0988   -0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759    1.7267    1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5751    2.1210   -0.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2635    0.8622    0.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433    0.4683   -1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    0.3739   -1.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2309   -0.0919    0.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5599    0.2697    2.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1784   -0.5821    2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6507   -1.4598    1.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242   -1.0156   -1.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7098   -1.9405   -0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257   -1.2678    0.6236 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