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
    4.5273   -0.4032    0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0752   -0.1104    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608    0.1203   -0.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029    0.3931   -0.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322    0.4412    0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8470    0.2100    1.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2027   -0.0624    1.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172    0.7135   -0.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8831   -0.3490   -0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4169   -1.5142   -0.3359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3006   -0.1624   -0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0840   -1.1893   -0.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8387    1.2257   -0.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6457   -1.2711    1.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9868   -0.6094   -0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9719    0.5208    1.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2291    0.0878   -1.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8055    0.5733   -1.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1684    0.2461    2.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -0.2456    2.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6788   -2.1890   -0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1570   -1.0927   -0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1841    1.8543   -1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7358    1.5897    0.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8793    1.2230   -0.8637 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