Structure Database (LMSD)

Common Name
2-methoxy-hexadecanoic acid
Systematic Name
2-methoxy-hexadecanoic acid
Synonyms
  • 2-Methoxyhexadecanoic acid
LM ID
LMFA01080009
Status
Active
Exact Mass
Calculate m/z
286.250795
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
YNBIUHDYZWCBSF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
SMILES (Click to copy)
OC(=O)C(OC)CCCCCCCCCCCCCC

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 326.39
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.46
Molar Refractivity 84.64

Admin

Created at
-
Updated at
-