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
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
-3.0748 -0.1671 -0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0881 0.4864 0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7140 0.1792 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1287 1.2992 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4442 2.6629 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4537 1.0477 -0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9510 -0.2469 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1145 -1.3050 -0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2517 -1.0914 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1388 -2.2835 0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3901 -0.4149 -0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9763 -0.9782 -0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1303 0.0827 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3174 1.2912 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5179 2.6806 -0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1180 3.4107 -0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4023 2.9261 1.2399 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1309 1.9067 -0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4596 -2.3342 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4929 -2.7458 -0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4902 -3.0307 0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9703 -2.0800 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6184 0.0019 -1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9590 0.1819 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6852 -1.4793 -0.4648 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