Monomers

p-Tolyl methacrylate

Identifiers

IUPAC name
(4-methylphenyl) 2-methylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
InchI Key
AOUAMFARIYTDLK-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)OC(=O)C(=C)C
Canonical SMILES
CC1=CC=C(C=C1)OC(=O)C(=C)C
Isomeric SMILES
CC1=CC=C(C=C1)OC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.4765
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 25 25  0  0  0  0  0  0  0  0999 V2000
   -4.5888   -0.0868   -0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1237    0.0424   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4077    0.8913   -0.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0454    1.0152   -0.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3515    0.3263    0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0652   -0.5195    0.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4488   -0.6597    0.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143    0.4195    0.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.3683   -0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5630   -1.2509   -1.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868   -0.2629    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653   -1.0368   -0.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8575    0.7733    0.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9459   -1.0647    0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1203    0.7190    0.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8931    0.0016   -1.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9408    1.4426   -1.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4808    1.6765   -1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5624   -1.0767    1.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0391   -1.3097    1.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9116   -1.7911   -1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3177   -0.9823   -0.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1646    0.7144    1.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8619    0.5915    1.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7165    1.7960    0.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 11 13  1  0
  7  2  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  7 20  1  0
 12 21  1  0
 12 22  1  0
 13 23  1  0
 13 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers