(1aR,4S,4aR,8R,8aS)-1a,4,6,6-tetramethyl-1,2,3,4,4a,5,7,8-octahydrocyclopropa[i]naphthalen-8-ol
PubChem CID: 163097731
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1aR,4S,4aR,8R,8aS)-1a,4,6,6-tetramethyl-1,2,3,4,4a,5,7,8-octahydrocyclopropa[i]naphthalen-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XCYFEDHSZQHRCC-PGKPSXLWSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.371 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.807 |
| Compound Name | (1aR,4S,4aR,8R,8aS)-1a,4,6,6-tetramethyl-1,2,3,4,4a,5,7,8-octahydrocyclopropa[i]naphthalen-8-ol |
| 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 | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9151064 |
| Inchi | InChI=1S/C15H26O/c1-10-5-6-14(4)9-15(14)11(10)7-13(2,3)8-12(15)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,14+,15+/m0/s1 |
| Smiles | C[C@H]1CC[C@@]2(C[C@]23[C@@H]1CC(C[C@H]3O)(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cymbidium Aloifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Delphinium Dictyocarpum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Juniperus Serawschanica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ladeania Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ligularia Atroviolacea (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Peucedanum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Scutellaria Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Trifolium Pannonicum (Plant) Rel Props:Source_db:cmaup_ingredients