Hexanoic acid, 9-decen-1-yl ester
PubChem CID: 536237
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| Compound Synonyms | 9-Decenyl hexanoate #, DIXHGNMBGFNHPV-UHFFFAOYSA-N, Hexanoic acid, 9-decen-1-yl ester |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 199.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dec-9-enyl hexanoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C16H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DIXHGNMBGFNHPV-UHFFFAOYSA-N |
| Fcsp3 | 0.8125 |
| Logs | -3.587 |
| Rotatable Bond Count | 14.0 |
| Logd | 3.0 |
| Compound Name | Hexanoic acid, 9-decen-1-yl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 254.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.273366799999999 |
| Inchi | InChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-13-15-18-16(17)14-12-6-4-2/h3H,1,4-15H2,2H3 |
| Smiles | CCCCCC(=O)OCCCCCCCCC=C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients