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
    4.5917    0.0248   -0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1127    0.0997   -0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3998   -0.9954   -0.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416   -0.9304   -0.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3159    0.1968   -0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0247    1.3089   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3976    1.2318    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0578    0.2073   -0.6325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8468   -0.1822    0.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2478   -0.5371    1.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3018   -0.2011    0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9876   -0.5840    1.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9923    0.2118   -0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8525   -0.3708    0.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9741    1.0511   -0.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0193   -0.6755   -0.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9399   -1.8999   -0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4619   -1.7882   -1.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4602    2.2017    0.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9344    2.0929    0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0639   -0.6244    1.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4652   -0.8802    2.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1900    1.3163   -0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3717   -0.0074   -1.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0014   -0.2666   -0.9177 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