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
   -3.1207   -0.3847   -0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961    0.3824    0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7788    0.1337    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0510    1.2578   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6479    2.5947   -0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4081    1.1746   -0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9971   -0.0761   -0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208   -1.1880    0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1687   -1.0868    0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9629   -2.3072    0.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4522   -0.2298   -0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441   -1.2746   -0.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1923   -0.1578   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4719    1.2827    0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270    2.9386    0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5304    2.5361   -0.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0530    3.3024   -0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9902    2.0764   -0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6782   -2.1598    0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2961   -3.0119    1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2939   -2.8581   -0.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8079   -2.0943    1.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -0.6747    0.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9413    0.7309   -0.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428   -0.9065   -1.1944 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