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
   -3.0340    0.4867   -0.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132   -0.2489    0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7810   -0.0978    0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1306    1.0942    0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8405    2.3983    0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2418    1.1452   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501   -0.0093   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3170   -1.2206    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0478   -1.2951    0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7613   -2.5814    0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4272    0.0283   -0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.2325   -1.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1256    0.3548   -0.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5760   -0.9979    0.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797    2.3714    0.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1839    3.1666    0.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0452    2.8307   -0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7644    2.1100   -0.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8798   -2.1639    0.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0671   -3.4015   -0.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6676   -2.6525   -0.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9965   -2.7451    1.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8739   -0.9650   -0.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8619    0.7439    0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6422    0.4165   -1.2789 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