Structure Database (LMSD)

Common Name
3E,7Z-Decadien-2-one
Systematic Name
3E,7Z-Decadien-2-one
Synonyms
LM ID
LMFA12000151
Formula
C10H16O
Exact Mass
Calculate m/z
152.120115
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
VALLPPJVHNQXGZ-FTGFODROSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-3-4-5-6-7-8-9-10(2)11/h4-5,8-9H,3,6-7H2,1-2H3/b5-4-,9-8+
SMILES (Click to copy)
CC(=O)/C=C/CC/C=C\CC

Other Databases

PubChem CID
56936215

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 182.43
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.88
Molar Refractivity 48.49

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Created at
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Updated at
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