(1S,4S,5S,8R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
PubChem CID: 101861552
Connections displayed (default: 10).
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| Topological Polar Surface Area | 34.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 345.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,4S,5S,8R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione |
| Prediction Hob | 0.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AGUISGUERLMHFF-BVIHXZOGSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -2.823 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.637 |
| Compound Name | (1S,4S,5S,8R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.053801 |
| Inchi | InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h9-11,14H,5-8H2,1-4H3/t10-,11+,14-,15+/m1/s1 |
| Smiles | C[C@@H]1CC[C@]2(CC1=O)[C@H](CC(=O)[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;npass_chem_all