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
   -2.9735   -0.6139    0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2148    0.1710   -0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7710    0.0543   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0881   -1.1312   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8191   -2.4137   -0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3209   -1.1343   -0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9943    0.0624   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2861    1.2538   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860    1.2807   -0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8638    2.5382   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4650    0.0987    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627   -1.4019    1.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0709   -0.4874    0.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7336    0.9217   -0.7106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7998   -2.3517   -0.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2048   -3.0579   -0.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9459   -2.8801    0.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187   -2.0927   -0.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8629    2.1786   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1228    3.3626   -0.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4189    2.7196    0.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5825    2.5899   -0.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8951    1.0124   -0.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9488   -0.8061   -0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7666    0.1271    1.0980 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