Monomers

2,4,6-Trimethylstyrene

Identifiers

IUPAC name
2-ethenyl-1,3,5-trimethylbenzene
InchI
InChI=1S/C11H14/c1-5-11-9(3)6-8(2)7-10(11)4/h5-7H,1H2,2-4H3
InchI Key
PDELBHCVXBSVPJ-UHFFFAOYSA-N
SMILES
C=Cc1c(C)cc(cc1C)C
Canonical SMILES
CC1=CC(=C(C(=C1)C)C=C)C
Isomeric SMILES
CC1=CC(=C(C(=C1)C)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14
Heavy Atom Count
11
Molecular Weight
146.233
Exact Molecular Weight
146.1096
Valence Electrons
58
Radical Electrons
0
tPSA
0.0
MolLogP
3.2549
H Bond Acceptors
0
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
   -3.1138   -0.2151    0.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1384    0.4369   -0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550    0.1561   -0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2222   -1.0856   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793   -2.3039   -0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468   -1.2764    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9413   -0.1706    0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334    1.1176    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0901    1.2595   -0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4854    2.5947   -0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4085   -0.3521    0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9860   -1.0136    0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1467    0.0524   -0.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4680    1.2478   -1.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3698   -2.6625    0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4372   -3.1357   -0.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172   -2.0933   -0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5547   -2.2501    0.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652    1.9974    0.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3439    2.9525   -1.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5399    2.6844   -0.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    3.2811    0.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8398    0.5751    0.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5291   -1.1245    1.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9022   -0.6723   -0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  7 11  1  0
  9  3  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  5 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
 11 23  1  0
 11 24  1  0
 11 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers