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
    4.6403    0.1261    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1683    0.0152    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5376    0.8725   -0.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1912    0.7272   -1.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4164   -0.2520   -0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0556   -1.1178    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270   -0.9760    0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9369   -0.4216   -0.7012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9301    0.1809    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5285    0.9391    0.9880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3362   -0.0287   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6805   -0.8206   -1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3553    0.6366    0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0961   -0.7863   -0.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7304    0.2070    1.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9900    1.0561   -0.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    1.6569   -1.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467    1.3988   -1.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198   -1.9128    0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8706   -1.6895    1.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7387   -0.9843   -1.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9408   -1.3199   -1.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0126    1.6026    1.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2834    0.8859    0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6450    0.0046    1.4688 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