(1S,5R,7R,8S)-8-(hydroxymethyl)-6,6-dimethyltricyclo[5.3.1.01,5]undecan-8-ol
PubChem CID: 162895202
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,5R,7R,8S)-8-(hydroxymethyl)-6,6-dimethyltricyclo[5.3.1.01,5]undecan-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C14H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZUXBRKGTIOZZIR-UZGDPCLZSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.359 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.446 |
| Compound Name | (1S,5R,7R,8S)-8-(hydroxymethyl)-6,6-dimethyltricyclo[5.3.1.01,5]undecan-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 224.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7903328 |
| Inchi | InChI=1S/C14H24O2/c1-12(2)10-4-3-5-13(10)6-7-14(16,9-15)11(12)8-13/h10-11,15-16H,3-9H2,1-2H3/t10-,11+,13-,14+/m0/s1 |
| Smiles | CC1([C@@H]2CCC[C@@]23CC[C@]([C@@H]1C3)(CO)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients