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
   -3.0229    0.4653    0.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2488   -0.2285    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8163   -0.0506   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1094    1.1112    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8319    2.4016    0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2947    1.1270    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0162   -0.0256   -0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3118   -1.2026   -0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0664   -1.2204   -0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299   -2.4909   -0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5114   -0.0057   -0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1149    0.2787    0.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7212    1.2233    1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.9883   -0.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    3.1836   -0.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9095    2.6260    1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8072    2.3389   -0.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8328    2.0597    0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8524   -2.1470   -0.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3213   -2.5161   -1.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6115   -2.5924    0.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1018   -3.3249   -0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672    0.6802   -1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -1.0116   -0.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9469    0.3089    0.7127 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