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
   -3.1147    0.7141    0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9566    1.0387   -0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6863    0.3858   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673    1.1871   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2584    2.6499   -0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7217    0.6197   -0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.7421    0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7516   -1.5076    0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5468   -0.9644    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7169   -1.8616    0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2507   -1.3667    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9756    1.3358    0.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2782   -0.1587    0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9753    2.0044   -0.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4164    3.0457    0.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    2.9211   -1.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304    3.1819   -0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5824    1.2878   -0.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8529   -2.5777    0.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0929   -2.1475    1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3093   -2.8471   -0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4896   -1.6138   -0.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1211   -2.4640    0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.9923   -0.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7450   -1.1286    1.1011 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