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
   -4.5367    0.5702   -0.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0609    0.4512   -0.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240   -0.7545   -0.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1398   -0.8882   -0.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2823    0.1665   -0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564    1.3533   -0.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170    1.5031   -1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    0.0195   -0.3254 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7743    0.2701    0.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0983    0.6490    1.8335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2119    0.1251    1.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7732    0.3887    2.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0974   -0.3198   -0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9637    0.2207    0.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8445    1.6055   -1.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8872   -0.0747   -1.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1741   -1.6078   -0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826   -1.8218    0.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2223    2.1925   -1.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6694    2.4531   -1.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1416    0.7158    3.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8394    0.2830    2.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6991    0.5527   -0.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7872   -1.0769    0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5311   -0.6781   -0.9684 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