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
   -3.1070   -0.3707    0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897    0.4576    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8002    0.1741    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0955    1.2154    0.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    2.5046    0.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4623    1.0561    0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9623   -0.1632   -0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0967   -1.1924   -0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -1.0098   -0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -2.1728   -0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4404   -0.2935   -0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8760   -1.3862    0.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1610   -0.0673    0.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5956    1.4714    0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137    3.2230   -0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241    2.4374    1.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3624    2.9811    1.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1493    1.8604    0.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780   -2.1380   -0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2362   -2.8267    0.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0880   -1.9039   -1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6170   -2.7884   -1.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8789    0.6965   -0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6300   -0.9118   -1.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8977   -0.8529    0.3682 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