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
   -3.0144    0.9154    0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2020    0.0209   -0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7573   -0.0002   -0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951   -1.2921   -0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0536   -2.5126   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714   -1.3744   -0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9597   -0.2506    0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4102    1.0017    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0261    1.1201   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414    2.5024   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4449   -0.3827    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7338    1.7761    0.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1126    0.8117    0.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7143   -0.7965   -0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3074   -2.7894   -1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5025   -3.3620    0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9853   -2.3945    0.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5914   -2.3921   -0.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0088    1.9127    0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2731    3.1628   -0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3641    2.5943   -0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229    2.9298    0.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7332   -1.3358   -0.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8823    0.4807   -0.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057   -0.3459    1.1974 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