LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3-ethylnon-5E-en-4-one

Synonyms

LM ID

LMFA12000410

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)

SFCCFHSGURXYKD-CMDGGOBGSA-N

InChi (Click to copy)

InChI=1S/C11H20O/c1-4-7-8-9-11(12)10(5-2)6-3/h8-10H,4-7H2,1-3H3/b9-8+

SMILES (Click to copy)

CCC/C=C/C(=O)C(CC)CC

Other Databases

PubChem CID

11557355

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