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
   -2.3622   -0.2467    1.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6923    0.0106   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3095    0.2936    0.1283 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594   -0.4955   -0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2233   -1.4638   -1.1629 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834   -0.2211   -0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284    0.7804    0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0282   -1.1270   -1.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3462    1.2331   -0.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1065    0.5553    2.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4618   -0.1457    1.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1962   -1.2587    1.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8703   -0.8919   -0.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5814    0.9728    0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8647    1.4616    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6319   -1.4935   -2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9673   -0.5798   -1.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2801   -1.9413   -0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6845    1.6034   -1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482    1.9806    0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3704    0.9736   -1.0034 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