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
    4.5843    0.2584    0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1327    0.0298    0.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    0.8062   -0.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0675    0.6233   -0.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4092   -0.3745   -0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781   -1.1715    0.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4274   -0.9600    0.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650   -0.5477   -0.4647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9017    0.1329    0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4880    0.9109    1.1946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3107   -0.0599    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6688   -0.8827   -0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    0.6897    0.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7100    0.9661    1.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0860    0.6525   -0.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1020   -0.6917    0.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9191    1.5956   -1.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5143    1.2353   -1.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5059   -1.9390    1.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391   -1.5865    1.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9525   -1.4225   -1.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7190   -1.0199   -1.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2334    0.1528    0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4749    1.6563    0.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8879    0.9462    1.8282 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