(3S,5R,6R,8S,10S)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-8,10-diol
PubChem CID: 162830284
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (3S,5R,6R,8S,10S)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-8,10-diol |
| Prediction Hob | 0.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZFLAQNRXNIGIQD-IKOXMDCHSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -2.404 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.998 |
| Compound Name | (3S,5R,6R,8S,10S)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-8,10-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 224.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0171328 |
| Inchi | InChI=1S/C14H24O2/c1-9(2)11-4-5-14(8-11)10(3)6-12(15)7-13(14)16/h10-13,15-16H,1,4-8H2,2-3H3/t10-,11+,12+,13+,14-/m1/s1 |
| Smiles | C[C@@H]1C[C@@H](C[C@@H]([C@@]12CC[C@@H](C2)C(=C)C)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients