Spiro(4.5)decan-2-one
PubChem CID: 557153
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Spiro[4.5]decan-2-one, 3643-16-1, spiro[4.5]decan-3-one, spiro(4.5)decan-3-one, Spiro(4.5)decan-2-one, starbld0020979, spiro[4.5]decan-2-on, SCHEMBL708873, DTXSID201314872, DAA64316, AT43858, EN300-1725930, 855-917-6 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | spiro[4.5]decan-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DJHRXBYWKVQDJY-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -1.819 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.122 |
| Compound Name | Spiro(4.5)decan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4407694 |
| Inchi | InChI=1S/C10H16O/c11-9-4-7-10(8-9)5-2-1-3-6-10/h1-8H2 |
| Smiles | C1CCC2(CC1)CCC(=O)C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients