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
   -3.0330    0.0718    0.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495   -0.5468   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7509   -0.1910   -0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2591    1.0748   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1783    2.2456   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238    1.3067    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    0.2215    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5244   -1.0692   -0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1562   -1.2598   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4196   -2.6182   -0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    0.4833    0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1047   -0.2148    0.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8518    0.8569    1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5189   -1.3457   -0.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764    3.1043   -0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1087    2.0468   -0.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3784    2.6159    0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4844    2.3225    0.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1814   -1.9321   -0.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3726   -2.7379    0.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3396   -3.3955   -0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6399   -2.8290   -1.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9921   -0.4501    0.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6737    1.2015   -0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5788    1.0385    1.0814 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