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
    3.0475   -0.3339    0.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1870    0.4645   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7663    0.1978   -0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2734   -1.0507   -0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1152   -2.2284   -0.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1179   -1.2177   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9823   -0.1629    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4373    1.1083    0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0807    1.3004    0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5223    2.6378    0.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4475   -0.4031    0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7446   -1.2289    1.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1130   -0.0582    0.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5111    1.3877   -0.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2806   -2.8952    0.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0105   -1.9069   -1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5020   -2.8510   -1.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4939   -2.2292   -0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1106    1.9464    0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1341    3.2839    0.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    2.5671    0.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6540    3.0746   -0.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7185   -1.0653    0.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0110    0.5238    0.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7206   -0.8607   -0.9567 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