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
   -2.4168   -0.0791    1.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6420   -0.3379   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3146    0.1609    0.0669 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7971   -0.6540   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5541   -1.8639   -0.3803 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1590   -0.1556   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1546   -0.9930   -0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146    1.2681    0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2962    0.3697   -1.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4470    0.1966    0.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9491    0.7069    1.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4331   -1.0283    1.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6698   -1.4236   -0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1660   -0.6250   -0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9883   -2.0371   -0.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8459    1.9094   -0.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9216    1.4759    1.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703    1.5307    0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0747   -0.2721   -1.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7205    1.3205   -0.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5078    0.5306   -1.9527 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