Structure database (LMSD)

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LM IDLMFA01060030
Common Name5-oxo capric acid
Systematic Name5-oxo-decanoic acid
Synonyms-
Exact Mass
186.1256 (neutral)    Calculate m/z:
FormulaC10H18O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
AbbrevFA 10:1;O
LIPIDBANK IDDFA0414
PubChem CID69346
InChIKeySDKDCMWTAOZNGB-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h2-8H2,1H3,(H,12,13)
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SMILES
C(=O)(CCCCC)CCCC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
202.65Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP2.39Molar
Refractivity
50.64