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
   -4.6088   -0.2303   -0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1386   -0.2613    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3695   -1.1152   -0.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9907   -1.1680   -0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3602   -0.3894    0.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1512    0.4368    1.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184    0.5214    1.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0186   -0.4710    0.6588 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8725    0.3470   -0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3744    1.1751   -0.8570 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3181    0.2703    0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8919   -0.5865    0.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1913    1.1664   -0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9325   -1.2752   -0.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8882    0.3201   -0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1010    0.1638    0.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8713   -1.7096   -1.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4261   -1.8381   -1.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6501    1.0457    2.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1510    1.1673    1.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -0.6176    0.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2974   -1.2776    1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9693    0.6260   -1.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5996    1.7797   -1.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6579    1.9203   -0.0135 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