(1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]decane
PubChem CID: 163089383
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 260.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]decane |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C15H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GDAKTWUGYOGSLA-OWYJLGKBSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.842 |
| Rotatable Bond Count | 0.0 |
| Logd | 5.091 |
| Compound Name | (1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]decane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 206.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.723112599999999 |
| Inchi | InChI=1S/C15H26/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h12-13H,5-10H2,1-4H3/t12?,13-,15?/m0/s1 |
| Smiles | C[C@H]1CCC(=C(C)C)C12CCC(CC2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients