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
    3.0825   -0.4016    0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890    0.4585   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7758    0.1806   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034   -1.0315   -0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0324   -2.1627   -0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1893   -1.2157   -0.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9645   -0.1493    0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4259    1.0851    0.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634    1.2361    0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5665    2.5352    0.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4289   -0.3321    0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1532   -0.1463    0.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8803   -1.3803    0.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    1.4406   -0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -2.7093   -1.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9293   -1.8494   -1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2560   -2.8790   -0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5907   -2.1925   -0.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0263    1.9407    0.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5802    2.4458    0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6549    3.1011   -0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0202    3.1430    1.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9799    0.6112    0.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6952   -0.6737    1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8285   -1.0542   -0.5433 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