Benzene, 1-ethyl-2,4,5-trimethyl-
PubChem CID: 28812
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-Ethyl-2,4,5-trimethylbenzene, 17851-27-3, Benzene, 1-ethyl-2,4,5-trimethyl-, 2,4,5-TRIMETHYLETHYLBENZENE, DTXSID20170496, 1,2,4-Trimethyl,5-Ethylbenzene, Benzene, 1,2,4-trimethyl-5-ethyl, Benzene, 5-ethyl-1,2,4-trimethyl, 1-ethyl-2,4,5-trimethyl-benzene, Benzene,1-ethyl-2,4,5-trime, DTXCID7092987, 1-Ethyl-2,4,5-trimethylbenzene #, AKOS024333292 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 117.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethyl-2,4,5-trimethylbenzene |
| Prediction Hob | 0.0 |
| Xlogp | 3.8 |
| Molecular Formula | C11H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IYFUQKGDILUVJG-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -4.812 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.21 |
| Compound Name | Benzene, 1-ethyl-2,4,5-trimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 148.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4970801636363635 |
| Inchi | InChI=1S/C11H16/c1-5-11-7-9(3)8(2)6-10(11)4/h6-7H,5H2,1-4H3 |
| Smiles | CCC1=C(C=C(C(=C1)C)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients