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
    4.5726   -0.1868    0.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034   -0.2348    0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3567   -1.1218    0.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964   -1.1427    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873   -0.3343   -0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284    0.5494   -0.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896    0.5773   -0.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9794   -0.4197   -0.3916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8716    0.3437    0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3997    1.1561    1.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3071    0.2197    0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7520   -0.6396   -0.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2209    1.0622    0.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9801   -1.2212    0.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0126    0.3711   -0.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7922    0.3710    1.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8172   -1.7667    1.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4128   -1.8461    1.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6524    1.1963   -1.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0729    1.2856   -1.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0785   -1.2598   -1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8086   -0.7870   -0.9846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2367    0.9613    0.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1919    0.7153    1.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9280    2.1516    0.8656 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