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
    4.5106    0.6841   -0.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0962    0.2871   -0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6360    0.1374    0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3270   -0.2307    0.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4411   -0.4600   -0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8929   -0.3129   -1.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2132    0.0585   -1.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8777   -0.8301    0.0087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8985    0.1014    0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5629    1.3117    0.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2795   -0.3233    0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5439   -1.6082    0.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3872    0.6731    0.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8800    1.3698   -0.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0987   -0.2526   -0.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6279    1.2289   -1.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3374    0.3192    1.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0089   -0.3365    1.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2728   -0.4709   -2.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    0.1734   -2.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7499   -2.3232    0.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5577   -1.9252    0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5022    1.0145    1.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2194    1.5567   -0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3290    0.1576    0.1887 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