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
    4.5662   -0.0086   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0987    0.1762   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3991    0.5211   -1.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0279    0.6934   -1.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3823    0.5262    0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0801    0.1832    1.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    0.0128    1.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9984    0.6986    0.2490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8760   -0.3503    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4065   -1.4743   -0.2086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2972   -0.1489    0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7613    1.0455    0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1919   -1.3188   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8837   -0.0540   -1.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348   -1.0039    0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0644    0.8182    0.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937    0.6545   -2.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4340    0.9653   -1.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358    0.0626    2.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0291   -0.2539    2.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0659    1.8501    0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8108    1.2700    0.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4274   -1.7557    0.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6991   -2.1005   -0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1379   -1.0090   -0.5602 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