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
   -4.5480    0.3035    0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0820    0.0465    0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2845    0.7205    1.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9289    0.4960    1.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241   -0.3747    0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1032   -1.0496   -0.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4765   -0.8123   -0.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368   -0.5481    0.1802 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540    0.2790   -0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3050    1.1567   -1.3115 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3046    0.1475   -0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0380    0.9529   -1.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8990   -0.9044    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1237   -0.6172   -0.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7673    1.1237   -0.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8449    0.6470    1.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7572    1.3963    1.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3264    1.0446    1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6545   -1.7486   -1.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0722   -1.3375   -1.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5589    1.6931   -1.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1088    0.8953   -1.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0130   -0.7549    0.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7133   -1.9103   -0.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4619   -0.8452    1.2987 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