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
   -1.3237    0.5651   -2.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135    1.1423   -1.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4116    0.2323   -0.1090 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450   -0.4216    0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7889   -0.1460   -0.3198 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7595   -1.3544    1.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3399   -1.6414    2.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0386   -1.9996    1.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9255    2.4988   -0.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0197   -0.2077   -1.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7095    0.1030   -3.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9100    1.3868   -2.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5945    1.2544   -1.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3688   -2.3310    2.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2635   -1.1641    1.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7870   -1.9685    0.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4757   -1.4442    2.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8130   -3.0585    2.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9209    2.4128   -0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2688    3.0805   -0.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    3.0612   -1.7602 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