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
    4.5568    0.0508   -0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1012    0.1718   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3024    0.6705   -1.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9439    0.7963   -1.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3768    0.4081    0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1481   -0.0942    1.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5099   -0.2107    1.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093    0.5209    0.3089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586   -0.5215   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3219   -1.5592   -0.4908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3093   -0.4389    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0634   -1.4559   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9414    0.8053    0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0413   -0.1711    0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9076    1.0152   -0.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7570   -0.7419   -1.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7373    0.9800   -2.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2753    1.1757   -1.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7016   -0.3985    2.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1578   -0.5987    1.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1212   -1.3915   -0.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6072   -2.3424   -0.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7413    1.6832    0.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5084    0.9588    1.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0353    0.6879    0.7684 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