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
    4.5692   -0.3924    0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0997   -0.1982    0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5051    0.9827   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1443    1.1872   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3394    0.2025    0.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916   -0.9851    0.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2601   -1.1817    0.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0334    0.3846    0.5514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8238    0.0343   -0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3121   -0.4392   -1.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2553    0.2127   -0.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7979    0.7109    0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1214   -0.1690   -1.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393   -0.8643   -0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8600   -1.0600    1.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0758    0.5755    0.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    1.7717   -0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7012    2.1430   -0.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2619   -1.7963    1.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252   -2.1111    1.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1688    0.9815    1.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8510    0.8497    0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3948    0.6960   -2.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6094   -0.9439   -2.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0596   -0.5909   -1.1486 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