7-Pentadecanone
PubChem CID: 292625
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| Compound Synonyms | 7-Pentadecanone, 6064-38-6, pentadecan-7-one, DTXSID10303478, n-Hexyl n-octyl ketone, NSC158499, SCHEMBL2420709, DTXCID30254610, NSC-158499, AS-81494, DB-053677, E77604, 653-787-3 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | VUXXXYMMZBAUSE-UHFFFAOYSA-N |
| Rotatable Bond Count | 12.0 |
| Synonyms | 7-Pentadecanone |
| Heavy Atom Count | 16.0 |
| Compound Name | 7-Pentadecanone |
| Description | Pentadecanone is a member of the class of compounds known as ketones. Ketones are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Pentadecanone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Pentadecanone can be found in soft-necked garlic, which makes pentadecanone a potential biomarker for the consumption of this food product. |
| Exact Mass | 226.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.23 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 226.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentadecan-7-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H30O/c1-3-5-7-9-10-12-14-15(16)13-11-8-6-4-2/h3-14H2,1-2H3 |
| Smiles | CCCCCCCCC(=O)CCCCCC |
| Xlogp | 6.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H30O |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all