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
   -4.5046   -0.5144    0.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0301   -0.2295    0.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2422   -1.1698    1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8832   -0.9999    1.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203    0.1064    0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1258    1.0558    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4922    0.8889   -0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0365    0.3876    0.6464 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8048   -0.0686   -0.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196   -0.7120   -1.3083 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2481    0.1769   -0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9539   -0.2659   -1.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9138    0.9433    0.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6348   -1.3305   -0.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7673   -0.8841    1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0862    0.3854    0.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6850   -2.0637    1.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -1.7264    1.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6901    1.9523   -0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1422    1.6170   -0.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0169   -0.0908   -1.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -0.8250   -2.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8581    0.4406    0.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0656    1.9933    0.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2574    0.9329    1.4990 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