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
    4.4088   -0.1570   -1.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0298   -0.0147   -0.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5106   -0.9389    0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2224   -0.8345    0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4685    0.2368    0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9587    1.1947   -0.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2464    1.0525   -1.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    0.4319    0.7412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8603   -0.1242    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5952   -0.7799   -1.0164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2364    0.0387    0.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4999    0.7277    1.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3022   -0.5910   -0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0405   -0.7956   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8832    0.8633   -1.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4546   -0.5929   -2.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0927   -1.7851    0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7961   -1.5512    1.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3471    2.0467   -0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6835    1.7663   -1.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7153    1.1644    2.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5170    0.8503    1.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3921   -1.6387   -0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9516   -0.5542   -1.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2455   -0.0155   -0.3680 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