(8S)-8-methylhexadeca-2,4-diyn-1-ol
PubChem CID: 162882095
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8S)-8-methylhexadeca-2,4-diyn-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C17H28O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XIPKJBRKFFRDDS-KRWDZBQOSA-N |
| Fcsp3 | 0.7647058823529411 |
| Logs | -5.923 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.309 |
| Compound Name | (8S)-8-methylhexadeca-2,4-diyn-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 248.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.641741999999999 |
| Inchi | InChI=1S/C17H28O/c1-3-4-5-6-8-11-14-17(2)15-12-9-7-10-13-16-18/h17-18H,3-6,8,11-12,14-16H2,1-2H3/t17-/m0/s1 |
| Smiles | CCCCCCCC[C@H](C)CCC#CC#CCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stephania Pierrei (Plant) Rel Props:Source_db:cmaup_ingredients