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
    4.5482    0.0924    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0864    0.1840   -0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4611   -0.7842   -0.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1009   -0.7309   -1.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3824    0.3165   -0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0019    1.2756    0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3564    1.2103    0.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9943    0.4235   -0.7958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8424   -0.2192    0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978   -0.8589    1.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2856   -0.1619    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8206    0.5052   -0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1324   -0.8395    0.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7124   -0.8281    0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8739    0.9362    0.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1196    0.0132   -0.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0507   -1.5676   -1.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6049   -1.4892   -1.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4173    2.0947    0.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7938    1.9808    1.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8922    0.5661   -1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2336    1.0297   -1.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1073   -0.3631    1.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3096   -1.8938    0.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5937   -0.8917    1.9407 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