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
    3.0767   -0.4965    0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2187    0.1646   -0.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7854    0.0544   -0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1285   -1.1179    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8373   -2.4123    0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2771   -1.0965    0.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135    0.0535    0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3135    1.1945   -0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0541    1.2514   -0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079    2.4976   -0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4963    0.0580    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1663   -0.3587    0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7923   -1.1957    1.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6412    0.8867   -0.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1565   -3.1855   -0.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7521   -2.4758   -0.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0441   -2.7037    1.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7930   -2.0320    0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8800    2.1269   -0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280    2.4173   -1.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4582    2.7983    0.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0467    3.2801   -0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9715    0.5478   -0.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8777   -0.9542    0.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7716    0.6975    1.0126 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