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
   -4.5817    0.2205    0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1070    0.0168    0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4064    0.3707   -0.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    0.1762   -1.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3334   -0.3855    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0022   -0.7501    1.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3772   -0.5450    1.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0305   -0.5739   -0.0926 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9037    0.4113    0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101    1.4695    0.7667 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    0.2552    0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1758    1.2049    0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8670   -1.0142   -0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0276   -0.6774    0.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0786    0.2933   -0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8062    1.0949    1.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9675    0.8107   -1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449    0.4803   -1.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4654   -1.1932    2.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8764   -0.8404    2.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2335    1.0648    0.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618    2.1129    0.9664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8582   -1.7775    0.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1461   -1.3687   -1.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8821   -0.8562   -0.7520 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