(3R)-8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-ol
PubChem CID: 5320396
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4646988 |
|---|---|
| Topological Polar Surface Area | 32.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-ol |
| Prediction Hob | 0.0 |
| Xlogp | 4.5 |
| Molecular Formula | C17H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GVLDSGIQZAFIAN-KLAILNCOSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -5.19 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.88 |
| Compound Name | (3R)-8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 260.399 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7487374 |
| Inchi | InChI=1S/C17H24O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,15-18H,2-3,5-7,10,13-14H2,1H3/t15-,16?,17?/m1/s1 |
| Smiles | CCCCCCCC1C(O1)CC#CC#C[C@@H](C=C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oplopanax Horridus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients