Neoclovene oxide
PubChem CID: 536573
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| Compound Synonyms | Neoclovene oxide, BXKXWMWZABIJFN-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7,9,9-tetramethyl-3-oxatetracyclo[6.2.2.01,7.02,4]dodecane |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BXKXWMWZABIJFN-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.407 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.796 |
| Compound Name | Neoclovene oxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5246071999999997 |
| Inchi | InChI=1S/C15H24O/c1-12(2)9-15-8-5-10(12)13(15,3)7-6-11-14(15,4)16-11/h10-11H,5-9H2,1-4H3 |
| Smiles | CC1(CC23CCC1C2(CCC4C3(O4)C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients