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
    4.5981    0.3451    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1233    0.0328    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5510   -0.7517   -0.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1916   -1.0130   -0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3885   -0.5125    0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9849    0.2751    1.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497    0.5488    1.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9725   -0.7421    0.4043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8650    0.1228   -0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3697    1.0948   -0.8453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3164   -0.0648   -0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8384   -1.0715    0.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2084    0.9014   -0.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9749    0.4973    1.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7234    1.2591   -0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0786   -0.4924   -0.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1737   -1.1501   -1.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7334   -1.6301   -1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3781    0.6814    2.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8217    1.1754    1.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9084   -1.1925    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2344   -1.8079    1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0848    0.8912   -1.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0085    1.9425   -0.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2645    0.6611   -0.6185 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