8-Methyldecanoic acid
PubChem CID: 21813
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| Compound Synonyms | 8-methyldecanoic acid, 5601-60-5, ANTEISOUNDECANOIC ACID, Decanoic acid, 8-methyl-, 8-methyl-decanoic acid, EV00F6FM94, AI-UNDECANOIC ACID, UNII-EV00F6FM94, DTXSID20863578, CAPRIC ACID, .ETA.-METHYL-, (+/-)-8-METHYLDECANOIC ACID, Anteisoundecanoate, XI-8-methyldecanoate, 8-methyl decanoic acid, xi-8-Methyldecanoic acid, SCHEMBL1333429, CAPRIC ACID, ETA-METHYL-, DTXCID50812175, CHEBI:179377, WGKCPRZDCLXOIQ-UHFFFAOYSA-N, LMFA01020187, AKOS006279688, BS-51677, DB-242973, NS00126291, E85079 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Description | Volatile cooked meat component. Occurs in mutton flavours. xi-8-Methyldecanoic acid is found in animal foods. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methyldecanoic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 4.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C11H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WGKCPRZDCLXOIQ-UHFFFAOYSA-N |
| Fcsp3 | 0.9090909090909092 |
| Logs | -3.207 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.578 |
| Substituent Name | Medium-chain fatty acid, Methyl-branched fatty acid, Branched fatty acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Compound Name | 8-Methyldecanoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 186.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 186.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2327289999999995 |
| Inchi | InChI=1S/C11H22O2/c1-3-10(2)8-6-4-5-7-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13) |
| Smiles | CCC(C)CCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients