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
   -2.5036   -1.3250    1.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0853   -0.7339    0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7649   -0.2760    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3809   -0.8606    0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3256   -2.0994    1.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6526   -0.3505    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7849    0.7619   -0.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303    1.3505   -1.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6177    0.8721   -0.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8551    1.5083   -1.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1192    1.3274   -0.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9368   -1.5836    2.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5699   -1.6212    1.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8741   -0.5685   -0.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081   -2.6416    1.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3578   -1.8789    2.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4775   -2.7593    1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5307   -0.8575    0.6259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7452    2.2288   -1.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2230    1.0274   -2.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6873    1.4597   -0.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6902    2.5995   -1.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5072    0.8896   -1.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0636    2.4235   -1.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    1.1072   -0.1257 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