Structure database (LMSD)

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LM IDLMFA01080017
Common Name8,10-dimethoxy-octadecanoic acid
Systematic Name8,10-dimethoxy-octadecanoic acid
SynonymsOctadecanoic acid, 8,10-dimethoxy-
Exact Mass
344.2927 (neutral)    Calculate m/z:
FormulaC20H40O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID129774385
InChIKeyRGPGJWBMNOHCDK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H40O4/c1-4-5-6-7-8-11-14-18(23-2)17-19(24-3)15-12-9-10-13-16-20(21)2
2/h18-19H,4-17H2,1-3H3,(H,21,22)
SMILESC(CCCCCCC(OC)CC(OC)CCCCCCCC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
387.08Topological Polar
Surface Area
55.76Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP6.16Molar
Refractivity
100.57