2,2,5a,8a-Tetramethyldecahydro-2H-naphtho[1,8-bc]furan
PubChem CID: 6452862
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| Compound Synonyms | 53625-18-6, (-)-Maalioxide, (1R,4S,8S)-1,3,3,8-Tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecane, 2H-Naphtho(1,8-bc)furan, decahydro-2,2,5a,8a-tetramethyl-, (2aS-(2aalpha,5aalpha,8aalpha,8bbeta))-, 2,2,5a,8a-Tetramethyldecahydro-2H-naphtho[1,8-bc]furan, DTXSID80968396 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,4S,8S)-1,3,3,8-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecane |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PZKNYJWHOZUWDF-YPRXJGMQSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.736 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.666 |
| Compound Name | 2,2,5a,8a-Tetramethyldecahydro-2H-naphtho[1,8-bc]furan |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8206064 |
| Inchi | InChI=1S/C15H26O/c1-13(2)11-7-5-8-14(3)9-6-10-15(4,16-13)12(11)14/h11-12H,5-10H2,1-4H3/t11-,12?,14-,15+/m0/s1 |
| Smiles | C[C@@]12CCC[C@H]3C1[C@@](CCC2)(OC3(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all