(10E)-1-oxacycloicos-10-en-2-one
PubChem CID: 102428057
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (10E)-1-oxacycloicos-10-en-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.1 |
| Molecular Formula | C19H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LANZQBVDXQCJPX-HNQUOIGGSA-N |
| Fcsp3 | 0.8421052631578947 |
| Logs | -6.526 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.33 |
| Compound Name | (10E)-1-oxacycloicos-10-en-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 294.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.1702698 |
| Inchi | InChI=1S/C19H34O2/c20-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-21-19/h1,3H,2,4-18H2/b3-1+ |
| Smiles | C1CCCC/C=C/CCCCCCCC(=O)OCCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients