Structure Database (LMSD)

Common Name
SFE 2:0(1Me)/16:0
Systematic Name
Isopropyl hexadecanoate
Synonyms
  • WE(2:0(1Me)/16:0)
LM ID
LMFA07010675
Formula
C19H38O2
Exact Mass
Calculate m/z
298.287181
Sum Composition
SFE 19:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View studies deposited in Metabolomics Workbench in which this molecule has been identified

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Coprophilus striatulus (#1055217)
Insecta (#50557)
Isopropylesters as wetting agents from the defensive secretion of the rove beetle Coprophilus striatulus F. (Coleoptera, Staphylinidae),
Insect Biochem, 1984

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

Other Databases

HMDB ID
HMDB0035474
CHEBI ID
84262
PubChem CID
8907

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
8th Apr 2025