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
   -3.0516    0.2149    0.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1016    0.7768    0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7604    0.2847   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3996   -1.0392   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4076   -2.1179    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9590   -1.4026   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9632   -0.4669   -0.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5705    0.8523   -0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2584    1.2505   -0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1543    2.6738   -0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3958   -0.8560   -0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0079   -0.6843    1.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0766    0.6612    0.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3482    1.6926   -0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -2.5136    1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3148   -1.8574   -0.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9594   -3.0002   -0.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2052   -2.4615   -0.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3442    1.6257   -0.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8098    2.9106   -1.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7749    2.9419    0.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    3.3564   -0.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0596   -0.0718    0.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5932   -1.7750    0.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7425   -0.9951   -1.2838 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