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
   -2.5420   -0.6749    0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5960    0.4143    0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -0.0732   -0.1836 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8388    0.3682    0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633    1.2291    1.3484 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1478   -0.1378    0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2045    0.3197    0.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3615   -1.1531   -0.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2285    1.0391   -1.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1703   -1.0549   -0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2426   -0.2510    1.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9693   -1.4679    1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5444    1.1811    0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0863    1.0591    1.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1994   -0.0300    0.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -2.0308   -0.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4179   -1.5684   -1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9325   -0.7452   -1.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7403    0.6513   -1.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0810    2.1457   -1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126    0.7798   -1.1444 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