(1S,3S,4S,6S,7S,10R)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
PubChem CID: 71456580
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| Compound Synonyms | CHEMBL2152453 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 242.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,3S,4S,6S,7S,10R)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C10H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BYWPUNIXQZJWRS-AIGBEWNKSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.888 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.814 |
| Compound Name | (1S,3S,4S,6S,7S,10R)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 184.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.429557 |
| Inchi | InChI=1S/C10H16O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h5-9,11H,3-4H2,1-2H3/t5-,6-,7-,8+,9+,10+/m1/s1 |
| Smiles | C[C@@H]1[C@H]2C[C@@H]([C@@]3([C@@H]2CO[C@H]1O3)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Patrinia Scabra (Plant) Rel Props:Source_db:cmaup_ingredients