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
   -2.5768   -0.1407   -0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5910    0.1130    0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.3723    0.1703 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7390    0.4858    0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5253    1.6914    0.2997 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793    0.0126   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2356   -1.2615   -0.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759    1.0088   -0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1699   -0.5060    1.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6207    0.7539   -1.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5777   -0.3550   -0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1998   -0.9754   -1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5304    1.2069    0.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4136   -1.9310   -0.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1975   -1.6396   -0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6008    1.2519    0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7520    1.9416   -0.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0057    0.6721   -1.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8183   -0.0107    2.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2819   -0.3530    1.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0154   -1.5928    1.7583 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