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
   -2.5054    0.1465    1.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872   -0.1278   -0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3682    0.3165   -0.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7409   -0.5205   -0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4650   -1.7287   -0.3662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1074   -0.0083   -0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    1.2899    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2267   -0.9543   -0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3169    0.4587   -1.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5871    0.1475    0.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4512   -0.6934    1.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3512    1.1296    1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6559   -1.2466   -0.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048    1.6391    0.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966    1.9948    0.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4780   -1.4985    0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9189   -1.7270   -1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470   -0.4659   -0.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6365    0.1764   -2.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3406    0.0943   -1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2686    1.5777   -1.3199 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