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
   -4.5664   -0.0715   -0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724    0.0843   -0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931   -0.2578   -1.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9018   -0.1012   -1.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3465    0.3991   -0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1337    0.7366    0.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5196    0.5861    0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0275    0.5517   -0.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8422   -0.4734    0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2824   -1.5394    0.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2906   -0.3481    0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0202   -1.3579    0.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9386    0.9171   -0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9668    0.8543    0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8061   -0.9679    0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9189   -0.1956   -1.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7891   -0.6393   -2.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2938   -0.3636   -2.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6699    1.1236    1.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241    0.8585    1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5742   -2.2886    1.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0963   -1.2985    0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3019    1.4936   -0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377    1.5815    0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908    0.7163   -0.7094 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