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
    4.6021    0.0530   -0.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1478    0.0239   -0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4443   -1.1062   -0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1121   -1.1543   -0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4402   -0.1155    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    0.9950    0.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5057    1.0657    0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9180   -0.2515    0.5867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132    0.1416   -0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5233    0.6619   -1.3790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310   -0.0077    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6915   -0.5479    1.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3889    0.4204   -0.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6742   -0.1110   -1.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0589   -0.8297   -0.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0959    0.9754   -0.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -1.9460   -1.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5348   -2.0372   -0.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6325    1.7988    1.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0704    1.9502    0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9587   -0.8768    1.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7297   -0.6937    1.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6067    1.5044   -0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3291   -0.1183   -0.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0294    0.2057   -1.9709 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