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
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
-3.1209 0.7920 -0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2539 -0.1096 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8135 -0.0447 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1156 -1.2482 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9036 -2.4948 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2593 -1.2921 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0183 -0.1571 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3450 1.0247 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0621 1.0755 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7299 2.3893 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5002 -0.1872 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9617 1.7987 -0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1971 0.5382 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6998 -1.0863 0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5421 -2.3061 -1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5107 -2.7514 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2518 -3.3358 -0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8061 -2.2237 -0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8828 1.9494 0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5681 2.3531 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0629 3.0718 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9040 2.8568 -0.5563 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9242 0.1645 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9402 0.4348 0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8955 -1.2116 0.1968 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