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
   -2.9441    1.0034    0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2290    0.1919   -0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7981    0.0697   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0646    1.1119    0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338    2.4958    0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4513    0.8617    0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9810   -0.3963   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0808   -1.4254   -0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2669   -1.2336   -0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2134   -2.3523   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543   -0.6298   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5166    1.7012    1.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0481    0.9734    0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8170   -0.4637   -0.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670    2.6932   -0.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5428    2.8912    1.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4039    3.1334   -0.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0819    1.7310    0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4774   -2.4407   -0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1592   -2.1793    0.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909   -3.3218   -0.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4790   -2.3998   -1.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9302   -0.4254   -0.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9659    0.0637    0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7145   -1.6533    0.3143 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