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
    4.5841   -0.1147   -0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1140    0.0767   -0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    0.7971   -1.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0123    0.9667   -0.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031    0.4210    0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1689   -0.2944    1.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5115   -0.4705    0.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9573    0.5830    0.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9216   -0.2858   -0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5679   -1.2798   -0.7105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3161   -0.0477    0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6775    1.0103    0.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3298   -0.9959   -0.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8537   -1.1671   -0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0799    0.5266    0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9040    0.1845   -1.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8415    1.2364   -2.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4544    1.5431   -1.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071   -0.7385    1.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1407   -1.0315    1.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483    1.7128    1.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7129    1.2382    1.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3643   -0.6769   -0.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2008   -1.2267   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1534   -1.9669    0.2418 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