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
-3.1070 -0.3707 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1897 0.4576 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8002 0.1741 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0955 1.2154 0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4283 2.5046 0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4623 1.0561 0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9623 -0.1632 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0967 -1.1924 -0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2835 -1.0098 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1333 -2.1728 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4404 -0.2935 -0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8760 -1.3862 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1610 -0.0673 0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5956 1.4714 0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6137 3.2230 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3241 2.4374 1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3624 2.9811 1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1493 1.8604 0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4780 -2.1380 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2362 -2.8267 0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0880 -1.9039 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6170 -2.7884 -1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8789 0.6965 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6300 -0.9118 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8977 -0.8529 0.3682 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