1-Oxaspiro[3.5]nonan-7-ol
PubChem CID: 10820633
Connections displayed (default: 10).
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| Compound Synonyms | 1-oxaspiro[3.5]nonan-7-ol, 1823584-01-5, 176598-06-4, cis-1-Oxaspiro[3.5]nonan-7-ol, 1-Oxaspiro[3.5]nonan-7-ol, cis- (9CI), MFCD18810774, 2306255-04-7, 2566527-30-6, trans-1-oxaspiro[3.5]nonan-7-ol, SB22478, SB22479, (4s,7s)-1-oxaspiro[3.5]nonan-7-ol, 1-Oxaspiro[3.5]nonan-7-ol,cis-(9ci), PS-17197, SY322345, CS-0057097, CS-0057098, Rel-(4s,7s)-1-oxaspiro[3.5]nonan-7-ol, D96732 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-oxaspiro[3.5]nonan-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C8H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMOBSKGLTXGRTN-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.529 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.162 |
| Compound Name | 1-Oxaspiro[3.5]nonan-7-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 142.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1500276 |
| Inchi | InChI=1S/C8H14O2/c9-7-1-3-8(4-2-7)5-6-10-8/h7,9H,1-6H2 |
| Smiles | C1CC2(CCC1O)CCO2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Nobilis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Barleria Acanthoides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cordia Elaeagnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Euodia Lunu-Ankenda (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Hexalobus Crispiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Isodon Leucophyllus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Marrubium Globosum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Ptelea Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Pyrus Pyrifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Tsuga Heterophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Uncaria Sessilifructus (Plant) Rel Props:Source_db:cmaup_ingredients