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
    3.0693    0.8971    0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2571   -0.1041    0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8164   -0.0601    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309   -1.1947    0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9143   -2.3611    1.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -1.1981    0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9929   -0.1312    0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3139    0.9644   -0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0907    1.0133   -0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6767    2.2504   -0.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4864   -0.2108    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523    0.7200    0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7954    1.9078    0.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7213   -1.1108   -0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830   -2.0901    1.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1948   -3.1689    1.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896   -2.7429    0.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7252   -2.1056    0.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8973    1.8189   -0.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5784    2.0932   -1.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0736    2.6950   -1.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8243    3.0179   -0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7381   -1.2391   -0.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9513    0.4966   -0.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708   -0.1571    1.1311 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