9-Heptadecanol
PubChem CID: 136435
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| Compound Synonyms | 9-Heptadecanol, heptadecan-9-ol, 624-08-8, MFCD00046734, DTXSID70211449, 9-Hydroxy-heptadecan, 9-hydroxyheptadecane, SCHEMBL6225574, DTXCID20133940, CHEBI:197456, AB9411, AKOS022174993, AS-56567, BP-31089, SY056368, CS-0152272, H1401 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptadecan-9-ol |
| Prediction Hob | 1.0 |
| Xlogp | 7.5 |
| Molecular Formula | C17H36O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WTWWTKPAEZQYPW-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.403 |
| Rotatable Bond Count | 14.0 |
| Logd | 2.956 |
| Compound Name | 9-Heptadecanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.277 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 256.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.250038799999999 |
| Inchi | InChI=1S/C17H36O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3 |
| Smiles | CCCCCCCCC(CCCCCCCC)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients