Structure Database (LMSD)

Common Name
Isopropyl hexadecanoate
Systematic Name
Isopropyl hexadecanoate
Synonyms
  • WE(2:0(1Me)/16:0)
LM ID
LMFA07010675
Status
Active
Exact Mass
Calculate m/z
298.28718
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)
XUGNVMKQXJXZCD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC)OC(C)C

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 352.20
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.71
Molar Refractivity 92.05

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Created at
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Updated at
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