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
   -2.2229    0.1447   -1.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6820   -0.0175    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2756   -0.1933   -0.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6372    0.7325    0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1578    1.7103    1.0386 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622    0.5047    0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9120    1.3765    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5977   -0.6716   -0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3045   -1.1877    0.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -0.3155   -1.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6038   -0.3949   -2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2624    1.2068   -1.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034    0.9077    0.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9835    1.2544    0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5734    2.2469    1.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2762   -1.2864    0.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0601   -0.3127   -1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7358   -1.3268   -0.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2703   -1.4059    0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5824   -0.8970    1.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6386   -2.0753    0.8044 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