Structure Database (LMSD)

Common Name
10E-Hexadecenal
Systematic Name
10E-Hexadecenal
Synonyms
LM ID
LMFA06000193
Formula
C16H30O
Exact Mass
Calculate m/z
238.229666
Sum Composition
FAL 16:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Conogethes punctiferalis (#1133088)
Insecta (#50557)
(E)-10-hexadecenal, a sex pheromone component of the yellow peach moth, Dichocrocis punctiferalis Guenee (Lepidoptera: Pyralidae).,
Appl Entomol Zool, 1982

String Representations

InChiKey (Click to copy)
NBLCOWKIHZCSCF-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-7,16H,2-5,8-15H2,1H3/b7-6+
SMILES (Click to copy)
C(CCCCCCCC/C=C/CCCCC)(=O)[H]

Other Databases

CHEBI ID
179674
PubChem CID
6430155

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 288.87
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.44
Molar Refractivity 76.28

Admin

Created at
-
Updated at
8th Apr 2025