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
   -2.6992   -0.4849   -0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4322   -0.0976   -0.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3120    0.0277   -0.1243 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8817   -0.6130   -0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0077   -1.4245   -1.1765 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9995   -0.3879    0.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1308   -1.0436    0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857    0.5740    1.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6534    1.2348   -1.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5392   -0.0924   -0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8680   -1.5669   -0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7539    0.0570    0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2058   -0.8455   -1.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2471   -1.7452   -0.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9657   -0.8996    1.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2802    1.5735    1.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8096    0.7371    2.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383    0.1835    2.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2930    1.1516   -2.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914    1.7632   -1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1981    1.8988   -0.8831 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