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
    4.5326   -0.3376   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0757   -0.0816   -0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4164   -0.4043    0.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0664   -0.1651    1.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3469    0.4075    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0386    0.7256   -1.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3857    0.4785   -1.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0096    0.6313    0.1729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8906   -0.3695   -0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4191   -1.4391   -0.6593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3225   -0.1789   -0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1644   -1.1347   -0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8068    1.1075    0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0415    0.0775    0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7003   -1.4227   -0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    0.1758   -1.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9630   -0.8524    1.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5262   -0.4175    1.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4705    1.1706   -1.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9123    0.7365   -2.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8328   -2.0766   -0.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2218   -0.9590   -0.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7822    0.9484    1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0666    1.5111    1.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8964    1.8684   -0.2979 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