(1aR,3S,3aS,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalen-3-ol
PubChem CID: 22215266
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 | 309.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1aR,3S,3aS,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalen-3-ol |
| Prediction Hob | 0.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QHNIGCGGGCYOFP-CGNPOWQISA-N |
| Fcsp3 | 1.0 |
| Logs | -4.518 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.928 |
| Compound Name | (1aR,3S,3aS,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalen-3-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 | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8206064 |
| Inchi | InChI=1S/C15H26O/c1-9-6-5-7-10-12(16)8-11-13(14(11,2)3)15(9,10)4/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12+,13+,15+/m1/s1 |
| Smiles | C[C@@H]1CCC[C@H]2[C@]1([C@H]3[C@H](C3(C)C)C[C@@H]2O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Scandens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Kopsia Albiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ribes Sanguineum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Stachys Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients