(2S)-2-propyl-1,3-dioxaspiro[5.5]undecan-9-ol
PubChem CID: 162973718
Connections displayed (default: 10).
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| Topological Polar Surface Area | 38.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 197.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-propyl-1,3-dioxaspiro[5.5]undecan-9-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C12H22O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WKBJUXWGTKOEAQ-CXQJBGSLSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.672 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.678 |
| Compound Name | (2S)-2-propyl-1,3-dioxaspiro[5.5]undecan-9-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 214.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2588909999999998 |
| Inchi | InChI=1S/C12H22O3/c1-2-3-11-14-9-8-12(15-11)6-4-10(13)5-7-12/h10-11,13H,2-9H2,1H3/t10?,11-,12?/m0/s1 |
| Smiles | CCC[C@H]1OCCC2(O1)CCC(CC2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Serbica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Alluaudia Ascendens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Centaurea Collina (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Echinocereus Blanckii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Euonymus Nanus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Millingtonia Hortensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Physostigma Venenosum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Rabdosia Weisiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Sinapis Nigra (Plant) Rel Props:Source_db:cmaup_ingredients