Structure database (LMSD)

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LM IDLMFA07010262
Common NameDodecyl acetate
Systematic NameDodecyl acetate
Synonyms-
Exact Mass
228.2089 (neutral)    Calculate m/z:
FormulaC14H28O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID8205
HMDB IDHMDB0038969
InChIKeyVZWGRQBCURJOMT-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3
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SMILES
O(C(=O)C)CCCCCCCCCCCC
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
265.70Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.76Molar
Refractivity
68.97