(2r,6r,10r)-6,10,14-Trimethylpentadecan-2-ol
PubChem CID: 11032943
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| Compound Synonyms | HTUZNQGPJMIELO-KZNAEPCWSA-N, (2r,6r,10r)-6,10,14-trimethylpentadecan-2-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R,6R,10R)-6,10,14-trimethylpentadecan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 7.4 |
| Molecular Formula | C18H38O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HTUZNQGPJMIELO-KZNAEPCWSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.648 |
| Rotatable Bond Count | 12.0 |
| Logd | 5.784 |
| Compound Name | (2r,6r,10r)-6,10,14-Trimethylpentadecan-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.292 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.292 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 270.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.3871062 |
| Inchi | InChI=1S/C18H38O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-19H,6-14H2,1-5H3/t16-,17-,18-/m1/s1 |
| Smiles | C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gleditsia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lepisorus Contortus (Plant) Rel Props:Source_db:cmaup_ingredients