Structure Database (LMSD)

Common Name
WE 6:0/10:0
Systematic Name
hexyl decanoate
Synonyms
  • WE(6:0/10:0)
LM ID
LMFA07010456
Formula
C16H32O2
Exact Mass
Calculate m/z
256.240231
Sum Composition
WE 16:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Tetragonisca (#166441)
Insecta (#50557)
Identification of Oxygen Containing Volatiles in Cephalic Secretions of Workers of Brazilian Stingless Bees,
J Brazil Cheml Soc, 2000

String Representations

InChiKey (Click to copy)
DGPNTCACXCHFDI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h3-15H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCC)OCCCCCC

Other Databases

HMDB ID
HMDB0032324
CHEBI ID
174368
PubChem CID
82635

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 300.30
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.54
Molar Refractivity 78.20

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Created at
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Updated at
15th Jan 2025