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
   -3.0875    0.1419    0.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1968   -0.4186   -0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7715   -0.1355   -0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2252    1.1067    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758    2.3270    0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1673    1.2721    0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9666    0.1642    0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4256   -1.0847   -0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0741   -1.2511   -0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4959   -2.6065   -0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4370    0.3116    0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1647   -0.0814    0.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8154    0.8391    1.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5786   -1.1458   -0.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310    2.2149   -0.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4994    3.1993   -0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2790    2.5657    1.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5559    2.2808    0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0869   -1.9705   -0.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180   -2.8954    0.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1408   -2.5202   -1.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3234   -3.3257   -0.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9168   -0.6490    0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630    0.9968    1.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8632    0.6644   -0.7909 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