(2R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol
PubChem CID: 5318190
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XEAXSPJWIVZRTF-HRNJWANLSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.437 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.158 |
| Compound Name | (2R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9055001999999996 |
| Inchi | InChI=1S/C15H26O2/c1-12(2)11-6-9-13(3)7-5-8-14(4,16)15(13,10-11)17-12/h11,16H,5-10H2,1-4H3/t11-,13?,14+,15?/m0/s1 |
| Smiles | C[C@]1(CCCC2(C13C[C@H](CC2)C(O3)(C)C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all