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
    4.6095    0.0257    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1325    0.1815    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    0.2019    1.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0842    0.3445    1.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452    0.4706    0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0081    0.4516   -1.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4015    0.3073   -1.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0118    0.6100    0.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9041   -0.4480    0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4191   -1.6021    0.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -0.1619    0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7405    1.0716    0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2857   -1.2704    0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0103   -0.2435   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0920    0.9904    0.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9424   -0.7270    0.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9606    0.1088    2.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5732    0.3578    2.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5182    0.5431   -2.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9209    0.2928   -2.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875    1.3324    0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0343    1.9037    0.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0009   -2.0799   -0.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3329   -0.9107    0.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2269   -1.7501    1.2845 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