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
   -4.5943    0.4416    0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1468    0.1588    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4010    0.7781   -0.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668    0.5149   -1.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4124   -0.3865   -0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1348   -1.0289    0.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4812   -0.7393    0.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.6669   -0.4377 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9187    0.0788    0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4959    0.9913    0.9920 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3354   -0.1808    0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7300   -1.1474   -0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2900    0.6663    0.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7167    0.7635    1.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9253    1.2098   -0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1338   -0.5273    0.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8888    1.4873   -1.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4603    0.9929   -1.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6446   -1.7467    1.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0532   -1.2410    1.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7759   -1.3481   -0.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0171   -1.7343   -1.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0939    0.4915    1.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3269    0.4299    0.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260    1.7425    0.7030 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