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
-3.1280 0.4863 -0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2523 -0.3191 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8186 -0.1570 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0144 -1.2870 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6498 -2.6029 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3823 -1.1765 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9938 0.0516 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2034 1.1644 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1895 1.0447 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9311 2.3056 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4975 0.1707 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8404 1.3621 -0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2143 0.3144 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6987 -1.1917 0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1227 -3.4062 -0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1260 -2.7779 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4045 -2.7838 0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0320 -2.0429 -0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6979 2.1239 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0624 2.8178 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2612 3.0057 0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8431 2.2034 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9777 -0.6448 0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7319 1.1348 0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7664 0.2044 -1.1170 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