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
    4.5602   -0.6698   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0903   -0.6245   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4800   -0.0716    1.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1016   -0.0577    1.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3186   -0.5698    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9567   -1.1093   -1.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3320   -1.1370   -1.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304   -0.4836    0.2334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8467    0.5419   -0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2912    1.4933   -0.7105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2587    0.5325    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8678   -0.4739    0.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0867    1.6784   -0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9108   -1.2649   -0.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9289   -1.1144    0.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9322    0.3568   -0.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0707    0.3325    1.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6287    0.3852    1.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3437   -1.4987   -1.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8101   -1.5616   -1.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2665   -1.3117    0.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9508   -0.4819    0.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9417    1.8821    0.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4570    1.4383   -1.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4669    2.6041   -0.4294 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