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
   -3.1513    0.3569    0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1800   -0.2498   -0.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7716   -0.0448   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1571    1.1143    0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9377    2.3687    0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    1.1177    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142    0.0022    0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3764   -1.1602   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211   -1.2044   -0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6372   -2.4802   -0.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4854    0.0535    0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2088    0.1236   -0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0683    1.0815    0.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4549   -0.9877   -1.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7938    2.4169   -0.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2681    2.5042    1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2972    3.2591    0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804    2.0601    0.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847   -2.0568   -0.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3585   -2.8260    0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0982   -2.4115   -1.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496   -3.2540   -0.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8061    1.0876    0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9552   -0.6727   -0.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6859   -0.1981    1.5552 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