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
   -3.1429    0.2806    0.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1528    0.6628   -0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7725    0.2400   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193    1.1667   -0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2303    2.5079   -0.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5380    0.8158   -0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.4134   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146   -1.3093    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3503   -0.9942    0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3239   -2.0339    0.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4233   -0.7502   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1436    0.7247    0.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0615   -0.4236    1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4089    1.4055   -0.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6582    3.0769   -1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7242    3.0843   -0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    2.4050   -1.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3068    1.5210   -0.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835   -2.2960    0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8197   -3.0401    0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103   -2.0975    1.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2259   -2.0795    0.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5896   -1.7178   -0.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7869   -0.8041    1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9755    0.0684   -0.5253 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