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
    4.5481   -0.3556   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526   -0.3811   -0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3080   -0.9093    0.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9270   -0.9233    0.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3377   -0.3759   -0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0580    0.1562   -1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461    0.1609   -1.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580   -0.3851   -0.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8058    0.6517    0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2033    1.6364    0.7563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2635    0.6233    0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9508    1.6218    0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9200   -0.5688   -0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8633   -0.8545    0.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   -0.8289   -0.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8478    0.7150   -0.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7973   -1.3253    1.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3230   -1.3330    1.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    0.5602   -2.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623    0.5872   -2.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4395    2.4629    1.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0288    1.6440    0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2186   -1.4075   -0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8034   -0.8747    0.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1907   -0.2966   -1.4739 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