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
    4.5809   -0.5172    0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1486   -0.1937   -0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4890   -0.5088   -1.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1585   -0.1920   -1.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4377    0.4490   -0.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1232    0.7516    0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4528    0.4494    0.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9165    0.7773   -0.5618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9280   -0.0908   -0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5858   -1.1933    0.2928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    0.2451   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7296    1.3868   -0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3741   -0.7412    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2242    0.3958    0.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8758   -1.2882   -0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6684   -0.9661    1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657   -1.0176   -2.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521   -0.4413   -2.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5879    1.2510    1.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9723    0.7026    1.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7644    1.6152   -0.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9990    2.1053   -1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3562   -0.7665    1.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0648   -1.7599   -0.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3704   -0.4524   -0.3013 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