Structure database (LMSD)

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LM IDLMFA01030988
Common Name5-Decenoic acid
Systematic Name(5E)-dec-5-enoic acid
Synonyms-
Exact Mass
170.1307 (neutral)    Calculate m/z:
FormulaC10H18O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 10:1
PubChem CID5362593
HMDB IDHMDB0039768
InChIKeyUJUXUEKQHBXUEM-AATRIKPKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-6H,2-4,7-9H2,1H3,(H,11,12)/b6-5+
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SMILES
CCCC/C=C/CCCC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
193.86Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.99Molar
Refractivity
50.15