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
    3.1941    0.1720   -0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228   -0.3945    0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7958   -0.1327    0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0832   -1.2278    0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5550   -2.5612    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4441   -1.0705    0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0360    0.1585   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1873    1.2331   -0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2100    1.0890   -0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0660    2.3097   -0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5149    0.2904   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2220   -0.1065   -0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0112    0.9171   -1.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002   -1.1856    0.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0757   -3.3762    0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5124   -2.6042   -0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -2.7008    1.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0905   -1.9335    0.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5831    2.2243   -0.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4820    3.2103    0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    2.1426    0.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3122    2.4702   -1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8579    1.2928    0.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0403   -0.4474    0.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8525    0.2309   -1.1894 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