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
   -2.2614   -1.0997    0.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6193   -0.2372   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2854    0.0848    0.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7851   -0.2833   -0.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446   -0.9237   -1.6620 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1687    0.0282   -0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1341   -0.3542   -1.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4742    0.7837    0.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767    0.9785   -0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6016   -1.1992    1.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5243   -2.0923    0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2163   -0.6636    1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5957   -0.7977   -1.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9580   -0.9032   -2.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1479   -0.1113   -0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5766    0.7672    1.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1260    1.8561    0.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9146    0.2855    1.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4466    0.8793    0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7826    1.0885   -1.4426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0199    1.9137   -0.0094 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