Structure Database (LMSD)

Common Name
3-Hydroxydecan-2-one
Systematic Name
3-Hydroxydecan-2-one
Synonyms
LM ID
LMFA12000153
Formula
C10H20O2
Exact Mass
Calculate m/z
172.14633
Status
Active
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)
WQMUDPTXGSGWFD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-10(12)9(2)11/h10,12H,3-8H2,1-2H3
SMILES (Click to copy)
CC(=O)C(O)CCCCCCC

Other Databases

CHEBI ID
179561
PubChem CID
12524096

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 196.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.58
Molar Refractivity 50.58

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Created at
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Updated at
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