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
    3.2286    0.2288    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2038   -0.4793    0.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7899   -0.1795    0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2265    1.0608    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0804    2.2559    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    1.2224   -0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0037    0.1609   -0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4397   -1.0945   -0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0919   -1.2621    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5141   -2.6261    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4523    0.3780   -0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2407   -0.0978    0.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1534    1.1780   -0.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4659   -1.4585    0.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4274    2.7172   -0.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7935    2.1583    1.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3484    3.0373    0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5547    2.2319   -0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0975   -1.9558   -0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8967   -2.7536    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2728   -3.3817   -0.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2858   -2.7151   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8354    1.2461    0.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6820    0.6127   -1.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0752   -0.4843   -0.2084 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