(2R,9R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
PubChem CID: 382536
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| Compound Synonyms | NSC670146, Caryolane-1,9.beta.-diol, NSC-670146 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,9R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SFJOMLIUSIKKRA-BIBFLFFFSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.719 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.949 |
| Compound Name | (2R,9R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol |
| 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 | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0882001999999997 |
| Inchi | InChI=1S/C15H26O2/c1-13(2)8-11-10(13)4-6-14(3)9-15(11,17)7-5-12(14)16/h10-12,16-17H,4-9H2,1-3H3/t10?,11-,12-,14?,15?/m1/s1 |
| Smiles | CC1(C[C@@H]2C1CCC3(CC2(CC[C@H]3O)O)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients