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
   -3.0664   -0.4847   -0.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2038    0.2245    0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7722    0.0862    0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1309   -1.1097   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612   -2.3961   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2689   -1.1252   -0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9990    0.0326   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3178    1.2243    0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0497    1.2805    0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7868    2.5409    0.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4913    0.0387   -0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6973   -1.2532   -1.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -0.3361   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6813    0.9936    0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709   -2.4136    0.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1699   -3.1180    0.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9921   -2.8240   -1.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -2.0789   -0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9380    2.1346    0.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7530    2.5666   -0.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0660    2.6246    1.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1545    3.4193    0.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8322   -0.8685    0.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451   -0.1356   -1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8480    0.9772    0.3406 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