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
   -3.0676   -0.9667    0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1972   -0.0866    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7809   -0.0269    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786    1.2362    0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0611    2.4006    0.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1722    1.4028   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9856    0.3268   -0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3952   -0.9104   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0147   -1.0981   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5392   -2.4609   -0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4588    0.4997   -0.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1077   -0.8459    0.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8671   -1.8040   -0.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6538    0.7154    1.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9247    2.3223   -0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4181    2.4127    1.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5410    3.3462    0.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6197    2.3957    0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -1.7827   -0.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3591   -3.1367    0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -2.8379   -1.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2213   -2.6974    0.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7848   -0.4169   -1.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5992    1.4259   -1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0171    0.5867    0.4342 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