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
   -2.8700    1.4355    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2028    0.4279   -0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7907    0.1441   -0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4131   -1.1813   -0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045   -2.2861   -0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9090   -1.5329   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9055   -0.6018    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5341    0.7138    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    1.0895    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1280    2.5413    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -0.9861    0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5082    2.2443    0.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9611    1.5149    0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8462   -0.2714   -0.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3973   -2.0255    0.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0328   -3.1208    0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4631   -2.5974   -1.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2328   -2.5821   -0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584    1.4893    0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8979    2.7532   -0.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8298    3.0841   -0.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3164    2.9479    1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7835   -0.3576    1.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4181   -2.0288    0.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8304   -0.8141   -0.7808 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