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
    3.0197    0.2971   -1.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647   -0.1165   -0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8134   -0.0302    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0713    0.9958   -0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6844    2.1870   -1.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3347    0.9704   -0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0099   -0.0553    0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612   -1.0962    0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1068   -1.0775    0.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9554   -2.1853    1.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4911   -0.0138    0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0968    0.1589   -0.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812    0.7562   -1.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8213   -0.5981    0.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7445    1.9833   -2.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408    3.0925   -0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6656    2.4113   -0.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9007    1.7929   -0.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7599   -1.9343    1.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3909   -3.1575    1.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8259   -2.3600    0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002   -1.9514    2.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8688    0.9746    0.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9889   -0.2895   -0.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8675   -0.7541    1.1136 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