1,4-Ethano-1H-cyclopent[c]oxepin-8a(3H)-ol, hexahydro-1,3,3,6-tetramethyl-, (1S,4R,5aS,6S,8aS)-
PubChem CID: 91704727
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| Compound Synonyms | Hanamyol, (-)-Hanamyol, OSXGCNJUBCSZET-UHFFFAOYSA-N, (1S,3aS,4S,7R,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulen-3a-ol, 1,4-Ethano-1H-cyclopent[c]oxepin-8a(3H)-ol, hexahydro-1,3,3,6-tetramethyl-, (1S,4R,5aS,6S,8aS)-, 1,4-Ethano-1H-cyclopent[c]oxepin-8a(3H)-ol, hexahydro-1,3,3,6-tetramethyl-, [1S-(1.alpha.,4.alpha.,5a.alpha.,6.beta.,8a.alpha.)]- |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol |
| Prediction Hob | 0.0 |
| Xlogp | 2.6 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OSXGCNJUBCSZET-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.342 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.042 |
| Compound Name | 1,4-Ethano-1H-cyclopent[c]oxepin-8a(3H)-ol, hexahydro-1,3,3,6-tetramethyl-, (1S,4R,5aS,6S,8aS)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9307001999999995 |
| Inchi | InChI=1S/C15H26O2/c1-10-5-8-15(16)12(10)9-11-6-7-14(15,4)17-13(11,2)3/h10-12,16H,5-9H2,1-4H3 |
| Smiles | CC1CCC2(C1CC3CCC2(OC3(C)C)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients