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
   -3.1209    0.7920   -0.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -0.1096    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8135   -0.0447    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1156   -1.2482   -0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9036   -2.4948   -0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2593   -1.2921   -0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0183   -0.1571    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3450    1.0247    0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    1.0755    0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7299    2.3893    0.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5002   -0.1872    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9617    1.7987   -0.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1971    0.5382   -0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6998   -1.0863    0.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5421   -2.3061   -1.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5107   -2.7514    0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2518   -3.3358   -0.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8061   -2.2237   -0.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828    1.9494    0.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5681    2.3531    1.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629    3.0718    0.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9040    2.8568   -0.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9242    0.1645   -0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9402    0.4348    0.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955   -1.2116    0.1968 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