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
   -2.3954    0.1739    0.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7100    0.2127   -0.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3511   -0.1744   -0.1547 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    0.6701   -0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3806    1.7757   -0.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0924    0.3182   -0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0088    1.2051   -0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738   -0.9706    0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2679   -0.8401   -1.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0033    1.1083    1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872    0.2035    1.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0325   -0.7074    1.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7131    1.2244   -0.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0673    0.9884   -0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7776    2.1568   -1.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4575   -0.8749    0.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5851   -1.7798   -0.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7035   -1.3725    1.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.5404   -1.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3557   -1.7770   -0.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4974   -1.0001   -2.1192 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