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
3.0767 -0.4965 0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2187 0.1646 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7854 0.0544 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1285 -1.1179 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8373 -2.4123 0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2771 -1.0965 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0135 0.0535 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3135 1.1945 -0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0541 1.2514 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8079 2.4976 -0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4963 0.0580 0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1663 -0.3587 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7923 -1.1957 1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6412 0.8867 -0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1565 -3.1855 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7521 -2.4758 -0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0441 -2.7037 1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7930 -2.0320 0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8800 2.1269 -0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4280 2.4173 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4582 2.7983 0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0467 3.2801 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9715 0.5478 -0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8777 -0.9542 0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7716 0.6975 1.0126 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