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
   -3.1963   -0.4146    0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1505    0.2622    0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7671    0.0759    0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1432   -1.1032   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9252   -2.3806    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -1.1517   -0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9700   -0.0220   -0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3674    1.1778   -0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0495    1.2174    0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5771    2.5366    0.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4087   -0.0907   -0.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1731   -0.1100    0.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2131   -1.2620   -0.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3272    1.1329    1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3788   -2.5547   -0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2168   -3.2378    0.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5951   -2.2883    0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6214   -2.1156   -0.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9819    2.0663   -0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817    2.6929    1.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    3.3378    0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6094    2.5875    0.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6837   -1.1654   -0.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5720    0.3747   -1.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0631    0.4347   -0.1564 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