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
   -3.1392    0.2852    0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0548    0.8676   -0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7407    0.3224   -0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4293   -1.0029   -0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4538   -2.0510   -0.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8914   -1.4454   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169   -0.5671    0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6047    0.7859    0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3171    1.2286    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0135    2.6580    0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3340   -0.9786    0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2293   -0.6676    0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1330    0.7737   -0.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719    1.8480   -0.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9389   -2.9303   -0.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2066   -1.7352   -1.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8375   -2.5055    0.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0956   -2.5017   -0.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3825    1.5429    0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7980    2.9349    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756    3.2674    0.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3944    3.0142   -0.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134   -0.2529   -0.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5673   -0.9062    1.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5423   -1.9846   -0.0070 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