LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

3-Ethylnonan-2-one

Systematic Name

3-Ethyl-2-nonanone

Synonyms

LM ID

LMFA12000418

Formula

C₁₁H₂₂O

Exact Mass

Calculate m/z

170.167065

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Caiman crocodilus (#8499)

Ethyl-branched aldehydes, ketones, and diketones from caimans (Caiman and Paleosuchus; Crocodylia, Reptilia).,
J Nat Prod, 2006

Pubmed ID: 16792401

DOI: 10.1021/np0600797

String Representations

InChiKey (Click to copy)

MDEKWAMTZCERKO-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C11H22O/c1-4-6-7-8-9-11(5-2)10(3)12/h11H,4-9H2,1-3H3

SMILES (Click to copy)

CC(=O)C(CC)CCCCCC

Other Databases

PubChem CID

23288860

Calculated Physicochemical Properties

Heavy Atoms 12

Rings

Aromatic Rings

Rotatable Bonds 7

Van der Waals Molecular Volume 205.01

Topological Polar Surface Area 17.07

Hydrogen Bond Donors

Hydrogen Bond Acceptors 1

logP 3.57

Molar Refractivity 53.22

Admin

Created at

23rd Oct 2026

Updated at