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
   -4.5735    0.1698    0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0972    0.0140    0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3224    1.0238    0.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9476    0.9077    0.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2986   -0.2025    0.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0854   -1.2031   -0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4688   -1.1107   -0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0879   -0.2969    0.4003 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8529    0.1772   -0.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960    0.6976   -1.6159 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3004    0.1013   -0.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9616    0.5729   -1.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0062   -0.5101    0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9111    0.8171   -0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0948   -0.8114    0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9447    0.6523    1.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8029    1.9009    1.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980    1.6838    1.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5742   -2.0694   -0.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0627   -1.9111   -0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4480    1.0217   -2.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0484    0.5240   -1.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4961   -0.3359    1.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0290   -1.6208    0.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0555   -0.1922    0.5609 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