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
   -2.3492   -1.1139    0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6653   -0.4215   -0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4003    0.0151    0.1631 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7980   -0.4184   -0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7480   -1.2745   -1.2776 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    0.0565    0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1988    0.9489    1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3518   -0.4528   -0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5534    0.7053   -0.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1487   -1.7786    0.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8582   -0.4125    1.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6361   -1.7532    1.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5692   -1.1736   -1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2666    1.3212    1.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1089    1.3288    1.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477   -1.3826    0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1639    0.2953   -0.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2045   -0.7255   -1.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3080    0.9953    0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1049    0.3883   -1.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9858    1.6326   -0.9636 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