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
    4.5534    0.1950   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0773    0.0208   -0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266    0.7091   -1.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9622    0.6055   -1.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3513   -0.2194   -0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0916   -0.9227    0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4698   -0.8051    0.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0242   -0.4045   -0.0896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8605    0.3822    0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390    1.3065    1.3415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2970    0.1459    0.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1009    0.9012    1.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8798   -0.9538   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9111   -0.0488   -1.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680   -0.4256    0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7759    1.2685    0.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7985    1.3688   -1.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3466    1.1303   -1.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6080   -1.5704    1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0372   -1.3547    1.5811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1589    0.7730    1.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6705    1.7154    2.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9061   -1.1981    0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2738   -1.8840    0.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8669   -0.7351   -1.2085 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