Structure Database (LMSD)

Common Name
Decan-3-one
Systematic Name
Decan-3-one
Synonyms
LM ID
LMFA12000156
Formula
C10H20O
Exact Mass
Calculate m/z
156.151415
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

String Representations

InChiKey (Click to copy)
XJLDYKIEURAVBW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3
SMILES (Click to copy)
CCC(=O)CCCCCCC

Other Databases

HMDB ID
HMDB0032212
CHEBI ID
87309
PubChem CID
13576

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 187.71
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.33
Molar Refractivity 48.67

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Created at
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Updated at
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