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
   -4.5932   -0.2045    0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1067   -0.1902    0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3816   -1.3405    0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990   -1.3032    0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3550   -0.1292   -0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1187    1.0104   -0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    0.9885    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0124   -0.0678   -0.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9314    0.1834    0.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4618    0.3578    1.8998 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3663    0.2449    0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1675    0.4861    1.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350    0.0405   -0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458    0.6671    0.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0309   -1.1078    0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625   -0.1505    1.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8837   -2.2808    0.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3941   -2.1954    0.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6986    1.9802   -0.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1067    1.8818   -0.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2288    0.5316    1.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7546    0.6344    2.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2072    0.9942   -1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1703   -0.4351   -1.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372   -0.5960   -0.8263 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