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
   -3.2158   -0.3054   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1881    0.2599    0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7865    0.0666    0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0510    1.1706    0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5763    2.4126    0.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090    1.1338    0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0087   -0.0111   -0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960   -1.0912   -0.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1917   -1.0713   -0.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0061   -2.2796   -0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4706   -0.1012   -0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1407   -1.0012   -0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2485   -0.0695    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.9644    1.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0502    3.2676    0.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822    2.5853    0.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6933    2.4383    2.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0531    1.9795    0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -2.0201   -0.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2430   -3.1364   -0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3531   -2.3093   -1.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7832   -2.4684    0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8903   -1.0774   -0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0405    0.6795    0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057   -0.0162   -1.5915 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