Structure Database (LMSD)

O
Common Name
cis-9,10-Epoxynonadecane
Systematic Name
cis-9,10-Epoxynonadecane
Synonyms
LM ID
LMFA12000303
Formula
C19H38O
Exact Mass
Calculate m/z
282.292265
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
IDEQNIOEFSEJSA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19-18(20-19)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
SMILES (Click to copy)
CCCCCCCCC1OC1CCCCCCCCC

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Amblyopone (#219764)
Insecta (#50557)
Comparative survey of abdominal gland secretions of the ant subfamily Ponerinae.,
J Chem Ecol, 2003
Pubmed ID: 12647856

Other Databases

CHEBI ID
179296
PubChem CID
56936255

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 333.69
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.22
Molar Refractivity 90.29

Admin

Created at
-
Updated at
22nd Mar 2024