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
    4.5276    0.9190    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0772    0.6104    0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1782    1.6134   -0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8429    1.3319   -0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4091    0.0388   -0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3056   -0.9431   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6408   -0.6890    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9031   -0.3136   -0.6767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8727   -0.3596    0.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5841   -0.0696    1.4767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2534   -0.7529   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5445   -1.0545   -1.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216   -0.8120    0.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0480    0.7459   -0.6851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6414    1.9453    0.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8901    0.1442    1.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    2.6434   -0.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724    2.1612   -0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9975   -1.9923   -0.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460   -1.4626    0.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7817   -1.0152   -2.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5384   -1.3385   -1.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1241    0.0234    1.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3224   -0.5958    0.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3679   -1.7817    1.4788 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