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
   -2.9477   -0.9006    0.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2601   -0.0817   -0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8202   -0.0249   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2323    1.2481   -0.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1136    2.4591   -0.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327    1.3555   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9822    0.2735   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951   -0.9678    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0048   -1.1169    0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5213   -2.5060    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4556    0.4771   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4673   -1.5554    1.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0264   -0.9218    0.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7817    0.5980   -0.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6943    2.5864    0.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4514    3.3308   -0.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7985    2.3568   -1.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5628    2.3670   -0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0252   -1.8443    0.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2521   -3.1959   -0.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5903   -2.8996    1.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4426   -2.6889   -0.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6408    1.3958    0.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7844    0.6761   -1.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217   -0.4204    0.4435 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