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
    4.2215   -1.8813    0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9536   -1.0998    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743   -0.9306    1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0118   -0.2202    1.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5672    0.3579   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310    0.1953   -1.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5158   -0.5287   -1.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6288    1.0626   -0.0276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8652    0.4426   -0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8134   -0.7808   -0.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1128    1.1887   -0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1646    2.4800    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3891    0.4843   -0.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9817   -2.7945    0.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921   -1.2707    0.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5835   -2.1598   -0.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284   -1.3892    2.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4257   -0.1087    2.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9755    0.6498   -2.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -0.6604   -2.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2238    3.0176    0.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0688    3.0321    0.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2923    0.0444   -1.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833   -0.3203    0.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2443    1.1898   -0.5417 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