Acetyl dehydrorishitinol
PubChem CID: 14487612
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| Compound Synonyms | Acetyl dehydrorishitinol |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | IYWWINMILOVFBK-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Compound Name | Acetyl dehydrorishitinol |
| Description | Acetyl dehydrorishitinol is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Acetyl dehydrorishitinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Acetyl dehydrorishitinol can be found in potato, which makes acetyl dehydrorishitinol a potential biomarker for the consumption of this food product. |
| Exact Mass | 258.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.162 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 381.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 258.35 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C17H22O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-8H,9-10H2,1-5H3 |
| Smiles | CC1=C2CC=C(CC2=C(C=C1)C)C(C)(C)OC(=O)C |
| Xlogp | 3.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H22O2 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all