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
   -3.9352    0.2478    2.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7606    0.0578    1.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5859    0.8061    0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5149    0.6548   -0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5597   -0.2989   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7128   -1.0708    1.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7969   -0.8948    1.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5404   -0.5088   -0.9306 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7415    0.1460   -0.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8279    0.9943    0.1626 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8899   -0.0828   -1.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8011   -0.9578   -2.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1597    0.6503   -1.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5299   -0.6672    2.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4787    0.4133    3.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4610    1.1504    2.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3442    1.5559    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4173    1.2796   -1.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   -1.8145    1.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8988   -1.5135    2.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6535   -1.1270   -3.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9077   -1.5292   -2.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1950    0.9210   -0.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0244    0.0041   -1.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1962    1.5841   -2.0721 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