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
   -4.5663    0.4268    0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0903    0.2224    0.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2020    1.1847    1.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8362    0.9863    1.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3259   -0.2011    0.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1802   -1.1706    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5422   -0.9501    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0563   -0.3437    0.6521 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8638    0.0349   -0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616    0.5286   -1.4157 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3115   -0.1170   -0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9980    0.2639   -1.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9425   -0.7039    0.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9385    0.8983   -0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0952   -0.5416    0.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    1.0486    1.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6096    2.1218    1.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1542    1.7697    1.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7857   -2.0988   -0.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2517   -1.7030   -0.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625    0.1570   -1.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5086    0.6809   -2.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1956   -1.2892    1.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3920    0.1200    1.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7936   -1.3250    0.4585 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