Structure database (LMSD)

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LM IDLMFA07040027
Common Name6-Hydroxy-4-decanolide
Systematic Name6-Hydroxy-4-decanolide
Synonyms-
Exact Mass
186.1256 (neutral)    Calculate m/z:
FormulaC10H18O3
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
Alternative ClassesHydroxy fatty acids[FA0105], Carbocyclic fatty acids[FA0114]
AbbrevFA 10:1;O
PubChem CID56936042
CHEBI ID180133
InChIKeyQSECWZFAQXSMTI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18O3/c1-2-3-4-8(11)7-9-5-6-10(12)13-9/h8-9,11H,2-7H2,1H3
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SMILES
C1C(=O)OC(CC(O)CCCC)C1
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StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms13Rings1Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
192.93Topological Polar
Surface Area
48.60Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP2.21Molar
Refractivity
50.29