1,4-Dimethoxy-2,3,5,6-tetramethylbenzene
PubChem CID: 601765
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| Compound Synonyms | 1,4-Dimethoxy-2,3,5,6-tetramethylbenzene, 13199-54-7, Benzene, 1,4-dimethoxy-2,3,5,6-tetramethyl-, Dimethoxydurene, SCHEMBL2952712, DTXSID20345081, AKOS004903457, 2,5-dimethoxy-1,3,4,6-tetramethylbenzene |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dimethoxy-2,3,5,6-tetramethylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C12H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CPDNGRVWRPXTGS-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.458 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.476 |
| Compound Name | 1,4-Dimethoxy-2,3,5,6-tetramethylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 194.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.321241657142857 |
| Inchi | InChI=1S/C12H18O2/c1-7-8(2)12(14-6)10(4)9(3)11(7)13-5/h1-6H3 |
| Smiles | CC1=C(C(=C(C(=C1OC)C)C)OC)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients