Structure database (LMSD)

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LM IDLMFA01140043
Common Name5,6-methylenetetradecanoic acid
Systematic Name5,6-methylenetetradecanoic acid
SynonymsCyclopropanebutanoic acid, 2-​octyl-​
Exact Mass
240.2089 (neutral)    Calculate m/z:
FormulaC15H28O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesBranched fatty acids[FA0102]
PubChem CID85685811
PlantFA ID10342
InChIKeyHGTLIMXCUHOIQJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-9-13-12-14(13)10-8-11-15(16)17/h13-14H,2-12H2,1
H3,(H,16,17)
SMILESC(CCCC1CC1CCCCCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings1Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
270.64Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.63Molar
Refractivity
71.08