(1R,6R,7R,8R)-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undecan-8-ol
PubChem CID: 10878760
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,6R,7R,8R)-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undecan-8-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Is Pains | False |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LKUBLENFVRHTGX-UQOMUDLDSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (1R,6R,7R,8R)-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undecan-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0033064 |
| Inchi | InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)13(3)8-9-15(12,14)10-11(13)16/h11,16H,5-10H2,1-4H3/t11-,13+,14+,15-/m1/s1 |
| Smiles | C[C@@]12CC[C@@]3([C@]1(CCCC3(C)C)C)C[C@H]2O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Oxycedrus (Plant) Rel Props:Source_db:cmaup_ingredients