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
   -2.1976   -0.0984   -1.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648   -0.2214   -0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3511    0.2199   -0.1203 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7222   -0.5671    0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5170   -1.7773    0.4981 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0456    0.0522    0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2087    1.3305    0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467   -0.7433    0.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6079    0.4490    0.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890    0.8362   -2.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3069   -0.0575   -1.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8987   -1.0062   -2.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6794   -1.3111    0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    1.9784   -0.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930    1.7569    0.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9834   -0.0602    1.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7131   -1.2117   -0.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942   -1.5112    1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0084   -0.2538    1.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600    1.2546    1.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4537    0.9413    0.2372 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