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
   -4.5973    0.6508   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1315    0.3652   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5959   -0.8791    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2366   -1.0885   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4044   -0.0794   -0.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9326    1.1698   -0.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2781    1.3470   -0.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381   -0.3210   -0.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9051   -0.1412    0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.2755    1.3175 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137   -0.4204   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762   -0.8662   -1.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3161   -0.2166    0.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0407    1.0391   -1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0871   -0.3213    0.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7122    1.3791    0.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362   -1.6678    0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8024   -2.0578    0.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2593    1.9401   -1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6955    2.3200   -0.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7051   -1.0812   -1.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9322   -1.0137   -2.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1018    0.7818    1.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3435   -0.1650    0.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.9495    1.8232 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