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
   -2.3755   -0.2276   -1.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6797   -0.3344   -0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3861    0.2387   -0.1369 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7547   -0.4805    0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5463   -1.6957    0.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0823    0.1037    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2363    1.3664   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800   -0.6837    0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4893    0.4712    0.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2624   -1.1238   -2.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657   -0.1265   -1.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0545    0.6896   -2.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6194   -1.3979    0.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2052    1.8663   -0.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3768    1.9502   -0.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9999   -1.5992    1.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -0.0592    1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7951   -0.9454   -0.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1637    0.1501    1.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2051    1.5333    0.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5644    0.3044    0.7125 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