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
   -4.5613    0.1618    0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0874    0.2032    0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3256    1.1299    0.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9425    1.1750    0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3131    0.2948   -0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0555   -0.6316   -0.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4457   -0.6795   -0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0485    0.3335   -0.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8313   -0.4326    0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3054   -1.1433    1.3431 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2904   -0.3731    0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0231   -1.1106    1.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8983    0.4646   -0.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0720    0.6014   -0.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8968   -0.8712    0.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8571    0.7403    1.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8296    1.8271    1.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3602    1.9085    1.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -1.3582   -1.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0481   -1.4053   -1.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0946   -1.0800    0.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081   -1.7316    1.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009    1.4168   -0.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -0.0982   -1.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2097    0.6585   -1.6382 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