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
   -3.0382    0.4143    0.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1845   -0.0753   -0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7510   -0.0302   -0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1106    1.0352    0.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8348    2.2668    0.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2869    0.9904    0.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962   -0.1219    0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3132   -1.1759   -0.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361   -1.1723   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7988   -2.2745   -1.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4690   -0.1876    0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1291    0.3606    0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8054    0.8751    1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6008   -0.5343   -1.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7145    2.4508    0.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1291    3.1223    0.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727    2.3517    1.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7504    1.8545    1.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8919   -2.0401   -0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7888   -2.3155   -0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163   -2.0133   -2.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2754   -3.2295   -1.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178    0.2363    1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177    0.4407   -0.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8430   -1.2282    0.3737 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