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
   -2.8195    0.5935    1.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2277   -0.0566    0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8173   -0.0057    0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0078    1.0811    0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5566    2.3813    0.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3703    0.9836   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9639   -0.1679   -0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1328   -1.2494   -0.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2227   -1.1903   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1222   -2.3504   -0.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4217   -0.2672   -0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3350    1.2439    2.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9002    0.4889    1.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8486   -0.6850   -0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4591    2.5805    1.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5438    2.5683    0.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1010    3.1614    0.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0068    1.8435    0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554   -2.1738   -1.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9023   -2.4162    0.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6813   -2.1848   -1.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5095   -3.2743   -0.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8130    0.7102   -1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5987   -1.0940   -1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9899   -0.5206    0.2089 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