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
   -2.9674   -0.7840    0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2175   -0.0805    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752   -0.0297   -0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2376    1.2074   -0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0956    2.3427   -0.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284    1.3444   -0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9492    0.2677   -0.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784   -0.9287    0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.0905    0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5197   -2.3993    0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4331    0.4032   -0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5930   -1.4328    1.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0442   -0.7226    0.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7901    0.5397   -0.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4827    3.1969   -1.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8302    2.1436   -1.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6303    2.7187    0.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6302    2.2586   -0.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0074   -1.7686    0.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2763   -3.1621    0.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4106   -2.7540    0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5920   -2.5943    1.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8196   -0.2220   -1.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094    1.4670   -0.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8657    0.0791    0.7146 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