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
   -2.6847    0.7716    1.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8353    1.1175    0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6727    0.4009    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245    1.1624   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3011    2.6351   -0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5956    0.5969   -0.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7343   -0.7727   -0.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6699   -1.5200   -0.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5341   -0.9507    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6442   -1.8584    0.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9765   -1.4368   -1.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6838   -0.1070    2.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5495    1.4327    1.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0395    2.0791    0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2665    2.9758    0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2661    3.1529   -0.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2713    3.0107   -1.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4463    1.1816   -1.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7471   -2.5989   -0.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6453   -2.0996    1.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5603   -2.8012   -0.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6296   -1.4492    0.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508   -0.7739   -1.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5231   -1.8690   -0.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6816   -2.2797   -1.8734 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