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
   -2.5023   -1.9539   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2980   -1.7898    0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4385   -0.6521    0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.6225    0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3188    0.9375    0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0217    1.6739   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721    1.4706   -0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8108    0.1680   -0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9422   -0.8805    0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032   -2.2885    0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029    2.6098   -0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1039   -2.8557    0.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9640   -1.2101   -0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9360   -2.6644    0.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3233    1.9794    0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8802    1.1134   -0.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8536    0.3330    1.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3636    2.6842   -0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8738   -0.0260   -0.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.9104   -0.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001   -2.5894    1.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4178   -2.4322   -0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9251    2.8149    0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9925    2.3399   -1.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7116    3.5060   -0.6777 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