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
   -3.0878    0.7082   -0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355    0.9733    0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7246    0.3888    0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4019    1.1387    0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862    2.5361    0.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.5789    0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8809   -0.7260    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7858   -1.4675   -0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5025   -0.9051   -0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6213   -1.8312   -0.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2641   -1.2860    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0130    1.2851   -0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2177    0.0213   -1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1767    1.7717    0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1762    3.0001    1.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5050    2.6215    1.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2426    3.0685   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5522    1.1493    0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9195   -2.5002   -0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2851   -2.8955   -0.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8567   -1.8093   -1.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4914   -1.6834   -0.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9782   -0.4326    0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4620   -1.9619    0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5028   -1.7426   -0.9620 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