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
   -2.7027   -0.5041    0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6257   -0.1764   -0.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4245    0.2398   -0.0309 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925   -0.4229   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7191   -1.4097   -1.0243 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0312   -0.0049    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1342    1.0233    1.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751   -0.7599    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1204    0.9823   -1.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4631   -1.4121    0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6440   -0.6578   -0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8734    0.3830    1.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052   -1.0555   -1.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0617    1.3306    1.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2007    1.5642    1.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3916   -1.6564    0.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1781   -0.1129    0.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2112   -1.0596   -0.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2165    1.4791   -1.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7599    1.6683   -0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6602    0.5615   -2.3575 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