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
    4.6073    0.0919   -0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1358   -0.1045   -0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3913    0.1166   -1.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0129   -0.0645   -1.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3855   -0.4624    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1309   -0.6878    1.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4880   -0.5020    1.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9853   -0.6224   -0.0303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9061    0.3509    0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4996    1.4904    0.5545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3213    0.0724    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7389   -1.1297   -0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2885    1.1444    0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777    1.0323   -0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0517    0.1477    0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0762   -0.7678   -0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735    0.4284   -2.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4661    0.1237   -2.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6066   -0.9987    2.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0770   -0.6720    1.9608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7816   -1.4090   -0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0308   -1.9264   -0.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3281    0.7699    0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3014    1.9019   -0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9987    1.6770    1.4185 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