LIPID MAPS

Structure Database (LMSD)

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Common Name

7-Ethyl-4E-decen-6-one

Systematic Name

7-Ethyl-4E-undecen-6-one

Synonyms

LM ID

LMFA12000409

Formula

C₁₂H₂₂O

Exact Mass

Calculate m/z

182.167065

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)

UJQGKPVTWJPSRA-CSKARUKUSA-N

InChi (Click to copy)

InChI=1S/C12H22O/c1-4-7-8-10-12(13)11(6-3)9-5-2/h8,10-11H,4-7,9H2,1-3H3/b10-8+

SMILES (Click to copy)

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

Other Databases

PubChem CID

11542880

Calculated Physicochemical Properties

Heavy Atoms 13

Rings

Aromatic Rings

Rotatable Bonds 7

Van der Waals Molecular Volume 219.67

Topological Polar Surface Area 17.07

Hydrogen Bond Donors

Hydrogen Bond Acceptors 1

logP 3.74

Molar Refractivity 57.74

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Created at

23rd Oct 2026

Updated at