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
   -2.9930   -1.2138    0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2052   -0.2628   -0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8061   -0.0904   -0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2963    1.2163   -0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2805    2.3142   -0.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0356    1.5050   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9470    0.4781    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4826   -0.8069    0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1002   -1.0896    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3182   -2.4982    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    0.7120    0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6242   -2.0465    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0749   -1.1571    0.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7849    0.5154   -0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8499    3.2822    0.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2116    2.1503    0.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4585    2.4266   -1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    2.5073   -0.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864   -1.6096    0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0683   -2.7657   -0.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4977   -2.9277    1.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5974   -3.0915   -0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7066    0.7310    1.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037   -0.0343   -0.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5801    1.7559   -0.1773 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