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
    4.5396   -0.2612    0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0497   -0.1977    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245   -1.1292    1.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9427   -1.0504    1.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3518   -0.0392    0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0588    0.9083   -0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    0.8236   -0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0422    0.0642    0.3600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8155   -0.5851   -0.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2671   -1.2753   -1.4933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2610   -0.4291   -0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9967   -1.0319   -1.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9390    0.3826    0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8984   -0.9964    1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9302    0.7516    0.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8758   -0.6443   -0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8269   -1.9218    1.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560   -1.7674    1.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5447    1.6971   -0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0489    1.5424   -0.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5520   -1.6337   -2.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0665   -0.9416   -1.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6523   -0.2138    1.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1360    0.8494    1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4542    1.2173   -0.0494 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