(1R,4R,6S,8R,11R)-4,11,12,12-tetramethyl-5-oxatetracyclo[6.3.1.01,6.04,6]dodecane
PubChem CID: 12308851
Connections displayed (default: 10).
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| Topological Polar Surface Area | 12.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,4R,6S,8R,11R)-4,11,12,12-tetramethyl-5-oxatetracyclo[6.3.1.01,6.04,6]dodecane |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZIEAVLBEUVSHIU-OKNSCYNVSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.938 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.856 |
| Compound Name | (1R,4R,6S,8R,11R)-4,11,12,12-tetramethyl-5-oxatetracyclo[6.3.1.01,6.04,6]dodecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6128071999999998 |
| Inchi | InChI=1S/C15H24O/c1-10-5-6-11-9-15-13(4,16-15)7-8-14(10,15)12(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11-,13-,14-,15-/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]2C[C@]34[C@]1(C2(C)C)CC[C@]3(O4)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients