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
   -2.9004    0.8673    0.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2361    0.0076   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7880   -0.0005   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0081    1.1156   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5652    2.5014   -0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    1.0289   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9510   -0.2279   -0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1492   -1.3486   -0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2214   -1.2903   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0678   -2.5108   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4371   -0.3375   -0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0118    0.8321    0.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4934    1.6409    1.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.7375   -0.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5402    2.5489   -0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1608    3.1499   -0.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6109    2.9253    0.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9973    1.9274   -0.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5982   -2.3444   -0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2085   -2.9289   -1.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5769   -3.3390    0.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448   -2.3501    0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8040   -0.2796    0.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8354    0.4735   -0.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7393   -1.3238   -0.6007 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