(6R,7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyn-6-ol
PubChem CID: 162914212
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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 | 437.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6R,7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyn-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C17H20O |
| Prediction Swissadme | 1.0 |
| Inchi Key | OLWYWTSKMZVTTL-METAOBECSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.61 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.466 |
| Compound Name | (6R,7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyn-6-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 240.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 240.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.6746451999999996 |
| Inchi | InChI=1S/C17H20O/c1-3-5-7-8-9-10-11-12-14-16-17(18)15-13-6-4-2/h3-5,11-12,14,16-18H,2,6,13,15H2,1H3/b5-3+,12-11+,16-14+/t17-/m1/s1 |
| Smiles | C/C=C/C#CC#C/C=C/C=C/[C@@H](CCCC=C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cirsium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients