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

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
   -3.1280    0.4863   -0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2523   -0.3191    0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8186   -0.1570    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0144   -1.2870   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6498   -2.6029   -0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3823   -1.1765   -0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9938    0.0516   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    1.1644    0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895    1.0447    0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9311    2.3056    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975    0.1707   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8404    1.3621   -0.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2143    0.3144   -0.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987   -1.1917    0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1227   -3.4062   -0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1260   -2.7779   -1.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045   -2.7838    0.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0320   -2.0429   -0.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6979    2.1239    0.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0624    2.8178   -0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2612    3.0057    0.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8431    2.2034    0.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9777   -0.6448    0.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    1.1348    0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7664    0.2044   -1.1170 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