(1S,4S,5R,8S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]decan-9-one
PubChem CID: 6325005
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,4S,5R,8S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]decan-9-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.5 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HGEHVVBKUMPQRX-PWNZVWSESA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -3.675 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.388 |
| Compound Name | (1S,4S,5R,8S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]decan-9-one |
| 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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9877063999999995 |
| Inchi | InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h10-13H,5-9H2,1-4H3/t11-,12-,13-,15+/m0/s1 |
| Smiles | C[C@H]1CC[C@@]2(CC1=O)[C@H](CC[C@H]2C(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Calamus (Plant) Rel Props:Source_db:cmaup_ingredients