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
    4.5382    0.3161    0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0711    0.1445   -0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.1646   -0.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0032    0.9789   -0.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3502   -0.1696   -0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0845   -1.1818    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362   -1.0156    0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0187   -0.3304   -0.6541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8684    0.0925    0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4171    0.6011    1.4245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3028   -0.0512    0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1039    0.3445    1.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8735   -0.6544   -1.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7769    1.3975    0.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8760   -0.0966    1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0443   -0.1813   -0.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8699    2.0731   -0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4263    1.7518   -1.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6315   -2.0961    0.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0185   -1.8118    0.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861    0.7782    2.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1788    0.2676    1.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7472   -1.7543   -1.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9327   -0.3349   -1.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3636   -0.2324   -1.9171 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