Structure Database (LMSD)

Common Name
9-methoxy-pentadecanoic acid
Systematic Name
9-methoxy-pentadecanoic acid
Synonyms
LM ID
LMFA01080013
Status
Active
Exact Mass
Calculate m/z
272.235145
Formula
C16H32O3
Abbrev
FA 16:0;O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Methoxy fatty acids [FA0108]

String Representations

InChiKey (Click to copy)
QWMAMXJYEIAKRF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O3/c1-3-4-5-9-12-15(19-2)13-10-7-6-8-11-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
SMILES (Click to copy)
C(CCCCCCCC(OC)CCCCCC)(=O)O

References

Other Databases

CHEBI ID
184524
PubChem CID
15389269

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 309.09
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.07
Molar Refractivity 80.02

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Updated at
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