LIPID MAPS

Structure Database (LMSD)

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Systematic Name

5-Ethyl-2E-nonen-4-one

Synonyms

LM ID

LMFA12000412

Formula

C₁₁H₂₀O

Exact Mass

Calculate m/z

168.151415

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)

PZVVKXFLWXFMRH-VMPITWQZSA-N

InChi (Click to copy)

InChI=1S/C11H20O/c1-4-7-9-10(6-3)11(12)8-5-2/h5,8,10H,4,6-7,9H2,1-3H3/b8-5+

SMILES (Click to copy)

C/C=C/C(=O)C(CC)CCCC

Other Databases

PubChem CID

102177493

Calculated Physicochemical Properties

Heavy Atoms 12

Rings

Aromatic Rings

Rotatable Bonds 6

Van der Waals Molecular Volume 202.37

Topological Polar Surface Area 17.07

Hydrogen Bond Donors

Hydrogen Bond Acceptors 1

logP 3.35

Molar Refractivity 53.13

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Created at

23rd Oct 2026

Updated at