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
   -4.5416    0.2056   -0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0633    0.0236   -0.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2945    0.9651   -1.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9312    0.7567   -1.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3889   -0.3711   -0.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1980   -1.2940    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5455   -1.1055    0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0016   -0.5954   -0.5411 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377   -0.1196    0.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2795    0.5235    1.3980 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2794   -0.3475    0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8007   -1.0207   -0.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1236    0.1712    1.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7805    0.8048    0.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8825    0.7562   -1.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0317   -0.7760   -0.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7551    1.8479   -1.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2640    1.4680   -1.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7040   -2.1610    0.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1534   -1.8420    0.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641   -1.2217   -0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1903   -1.4132   -1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0576    0.6504    1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6163    0.9292    2.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835   -0.6242    2.2214 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