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
    4.5485   -0.1587    0.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0705   -0.0595    0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3597   -1.2320    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928   -1.2530   -0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3866   -0.0371   -0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777    1.1513   -0.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    1.1274   -0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9805   -0.0332   -0.6284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8572    0.0952    0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3667    0.2064    1.5771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2662    0.0951    0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7361   -0.0235   -1.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1970    0.2324    1.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8965    0.7693    0.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7841   -1.0657    0.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0159   -0.2179   -0.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8275   -2.1960    0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4487   -2.1949   -0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5824    2.1137   -0.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0411    2.0401   -0.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0921   -0.1290   -1.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8019   -0.0277   -1.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2619    0.2675    1.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0131   -0.6179    2.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9009    1.1478    1.8907 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