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
   -3.1811   -0.0783    0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1657    0.5779   -0.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7887    0.2009   -0.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2711   -1.0557   -0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1435   -2.2323   -0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0899   -1.3159    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9766   -0.2704    0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    1.0179    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1611    1.2370   -0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3627    2.6288   -0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4309   -0.5073    0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1683   -0.9965    0.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2197    0.2794    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4094    1.5016   -0.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5452   -3.1308   -0.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4580   -2.5510    0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9559   -2.1526   -0.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4573   -2.3278    0.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1756    1.8780    0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1157    2.8627    0.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4823    3.3453   -0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8371    2.7636   -1.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406   -0.3303    1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7306   -1.5418    0.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9699    0.1974   -0.2846 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