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
    4.5595    0.6037   -0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0992    0.2916   -0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    1.0810   -1.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8670    0.8159   -1.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4001   -0.2935   -0.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2491   -1.1100    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6047   -0.8107    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9766   -0.5722   -0.7850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8645   -0.0359    0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3662    0.6980    1.0726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2798   -0.3289    0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7379   -1.0945   -0.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2030    0.2405    1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8251    0.9809   -1.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6735    1.4494    0.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1589   -0.2750   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955    1.9386   -1.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1773    1.4531   -1.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8814   -1.9800    0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2718   -1.4503    0.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7751   -1.3558   -0.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0487   -1.4983   -1.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8916   -0.0290    2.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1906    1.3525    1.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2472   -0.0711    0.9218 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