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
   -4.5705    0.7106    0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1341    0.3286    0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5421   -0.0526   -1.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1982   -0.4169   -1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4121   -0.4137    0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154   -0.0301    1.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3542    0.3336    1.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9338   -0.7756    0.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9560    0.1119   -0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6657    1.3128   -0.3285 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3144   -0.3888   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5496   -1.6659    0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4046    0.5900   -0.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1745   -0.1750   -0.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9396    1.0322    1.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6883    1.5049   -0.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1501   -0.0602   -1.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381   -0.7145   -1.9782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3990   -0.0265    2.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8283    0.6353    2.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5737   -2.0238    0.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825   -2.4015    0.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3461    0.1881    0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4941    0.8356   -1.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1239    1.5614    0.1378 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