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
   -3.1113    0.6744    0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1335   -0.1243    0.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7498   -0.0875    0.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0797    1.0733    0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7159    2.3800    0.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616    1.0706   -0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9408   -0.0996   -0.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2535   -1.2703   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0522   -1.2999    0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7961   -2.5499    0.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3567   -0.1158   -1.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1242    0.5380    0.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9996    1.4956   -0.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4262   -0.9455    1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484    2.8587   -0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1318    3.1016    0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4417    2.4102    1.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7698    2.0122   -0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -2.1941   -0.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7133   -2.6128   -0.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0912   -3.3966    0.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1256   -2.5515    1.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -0.8308   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7759    0.8961   -0.8351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -0.4323   -2.0745 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