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
    4.5968   -0.1585    0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284    0.0263    0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5123   -0.5024   -0.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1589   -0.3349   -1.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4153    0.3954   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0073    0.9475    0.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3669    0.7544    1.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9252    0.5851   -0.5604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050   -0.2753   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5350   -1.2732    0.5668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3094   -0.0042   -0.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6749    1.0553   -1.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3592   -0.9260    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1434    0.7897    0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0098   -0.9185   -0.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7397   -0.5566    1.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1281   -1.0716   -1.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100   -0.7786   -2.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    1.5224    1.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7869    1.2000    1.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9027    1.7149   -1.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6976    1.2920   -1.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3568   -0.5813   -0.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2362   -0.9362    1.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2328   -1.9656   -0.2491 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