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
    4.5830   -0.2239   -0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085    0.0367    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    0.2930   -1.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    0.5413   -1.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3949    0.5287    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0694    0.2733    1.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273    0.0252    1.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9722    0.7741    0.0905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8794   -0.2688   -0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4164   -1.4184   -0.1571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3048    0.0264    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7423    1.2476    0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2668   -1.1189   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0127   -0.3280    0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6808   -1.2246   -0.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0563    0.5364   -0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9196    0.3132   -2.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5294    0.7457   -2.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5641    0.2564    2.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1801    2.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7821    1.5316    0.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0270    2.0527    0.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1864   -0.7182   -0.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8503   -1.8513   -0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4167   -1.5915    0.8570 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