Structure Database (LMSD)

Common Name
SFE 16:0/2:0
Systematic Name
Hexadecyl acetate
Synonyms
LM ID
LMFA07010379
Formula
C18H36O2
Exact Mass
Calculate m/z
284.271531
Sum Composition
SFE 18:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ourebia ourebi (#59536)
Mammalia (#40674)
Mammalian exocrine secretions: IX. Constituents of preorbital secretion of oribi,Ourebia, ourebi.,
J Chem Ecol, 1995
Pubmed ID: 24234526

String Representations

InChiKey (Click to copy)
LSTDYDRCKUBPDI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
146185
PubChem CID
12393

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.32
Molar Refractivity 87.44

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Created at
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Updated at
3rd Jun 2025