8-Hydroxyoctanoic acid
PubChem CID: 69820
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| Compound Synonyms | 8-Hydroxyoctanoic acid, 764-89-6, Octanoic acid, 8-hydroxy-, 8-hydroxy-octanoic acid, 8-Hydroxycaprylic acid, 8-hydroxy caprylic acid, 8-hydroxyoctanoate, omega-hydroxycaprylic acid, omega-hydroxyoctanoic acid, MFCD00792446, CHEBI:79162, DTXSID40227234, 8-Hydroxyoctanoicacid, Octanoic acid,8-hydroxy-, SCHEMBL80794, DTXCID40149725, 8-Hydroxyoctanoic acid, 98% (T), LMFA01050023, AKOS006223694, DS-6067, s10749, 92348-62-4, SY022019, DB-056069, CS-0187285, Q27148223, 634-761-0 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 102.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxyoctanoic acid |
| Prediction Hob | 1.0 |
| Class | Hydroxy acids and derivatives |
| Xlogp | -0.1 |
| Superclass | Organic acids and derivatives |
| Subclass | Medium-chain hydroxy acids and derivatives |
| Molecular Formula | C8H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KDMSVYIHKLZKET-UHFFFAOYSA-N |
| Fcsp3 | 0.875 |
| Logs | -0.607 |
| Rotatable Bond Count | 7.0 |
| Logd | 0.011 |
| Synonyms | 8-Hydroxycaprylic acid, Omega-hydroxycaprylic acid, Omega-hydroxyoctanoic acid, 8-Hydroxycaprylate, Omega-hydroxycaprylate, Omega-hydroxyoctanoate, 8-Hydroxyoctanoic acid, 8-Hydroxy caprylate, 8-Hydroxyoctanoate |
| Compound Name | 8-Hydroxyoctanoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 160.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 160.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.3020205999999998 |
| Inchi | InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11) |
| Smiles | C(CCCC(=O)O)CCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Medium-chain hydroxy acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Anodendron Affine (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cedrela Salvadorensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Garcinia Cambogia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Hertia Cheirifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Licaria Chrysophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ornithoglossum Viride (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Petasites Laevigatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Rubia Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Schizanthus Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Sphaeranthus Confertifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all