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
    4.5896    0.3590   -0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0962    0.2643   -0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5123   -0.9824   -0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1173   -1.1221   -0.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3194   -0.0201   -0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8990    1.2178   -0.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2930    1.3681   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0488   -0.1504   -0.4744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8604   -0.0657    0.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507    0.1398    1.7678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2956   -0.2156    0.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1241   -0.1434    1.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8665   -0.4580   -0.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -0.1249    0.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9299    1.3945   -0.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9696   -0.1920   -1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1257   -1.8401   -0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6566   -2.0972   -0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688    2.0834   -0.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7445    2.3387   -0.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7478    0.0310    2.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1887   -0.2560    1.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9364   -0.1638   -0.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7538   -1.5312   -1.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3116    0.1664   -1.6212 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