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

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
    4.5048   -0.1328    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0314    0.0397    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3004   -0.6012    1.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9298   -0.4214    1.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3411    0.3752    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0437    1.0180   -0.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    0.8389   -0.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0476    0.5199    0.4147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8238   -0.3722   -0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2774   -1.2761   -0.9507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2606   -0.2810   -0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9728   -1.1491   -0.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8762    0.8102    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0184    0.8216    0.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8219   -0.9044    0.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7419   -0.4609   -0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7853   -1.2411    2.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3559   -0.9136    2.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5267    1.6392   -1.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9919    1.3404   -1.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4896   -1.9121   -1.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0371   -1.0781   -0.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6405    1.7633   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9561    0.7292    0.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4332    0.8484    1.5479 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