5-Ethyl-m-xylene
PubChem CID: 13627
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-Ethyl-3,5-dimethylbenzene, 5-Ethyl-m-xylene, 934-74-7, 1,3-DIMETHYL-5-ETHYLBENZENE, m-Xylene, 5-ethyl-, Benzene, 1-ethyl-3,5-dimethyl-, WQH822L3HK, 5-ethyl-1,3-dimethylbenzene, NSC-74185, 1,3-Dimethyl-5-ethyl benzene, DTXSID1061316, NSC74185, EINECS 213-290-0, MFCD00059235, NSC 74185, Benzene,5-dimethyl-, 3,5-Dimethylethylbenzene, UNII-WQH822L3HK, 1-ethyl-3,5-dimethyl-benzene, DTXCID3048863, AKOS006228184, AS-81477, CS-0330197, E0282, NS00039561, T73084, Q63409470, 213-290-0 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethyl-3,5-dimethylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C10H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LMAUULKNZLEMGN-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.267 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.83 |
| Compound Name | 5-Ethyl-m-xylene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 134.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9166763999999996 |
| Inchi | InChI=1S/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3 |
| Smiles | CCC1=CC(=CC(=C1)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients