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
   -3.1444    0.3741   -0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2335   -0.2871    0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7898   -0.0932    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681    1.1130    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622    2.3795    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253    1.1957   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0227    0.0749   -0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3830   -1.1334    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0288   -1.2379    0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -2.5615    0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956    0.1232   -0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1895    0.1175   -0.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8954    1.1056   -1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5147   -1.0687    1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8693    2.2627    0.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3175    3.2185    0.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2401    2.7128   -0.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6844    2.1689   -0.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0043   -2.0411    0.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6882   -2.8470    1.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0990   -3.3424   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6611   -2.5158   -0.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7953   -0.8241   -0.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9611    0.0938    0.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8222    1.0120   -0.9100 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