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
   -3.1094    0.1599    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1228   -0.4673   -0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7312   -0.1968   -0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1308   -1.3032   -0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745   -2.6336   -0.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4720   -1.0896    0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9731    0.1756    0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0982    1.2275    0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2818    1.0707   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1302    2.2803   -0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.4238    0.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1596   -0.0581   -0.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9819    0.9113    0.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4230   -1.2330   -1.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1321   -3.4541    0.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4713   -2.8023   -1.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5183   -2.6329   -0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1280   -1.9649    0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4610    2.2311    0.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4358    3.0680   -0.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9669    2.1355   -0.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4674    2.6659    0.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7863    1.3159   -0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6403    0.5953    1.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -0.4250    0.1697 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