Structure Database (LMSD)

Common Name
Pentadecan-2-one
Systematic Name
Pentadecan-2-one
Synonyms
LM ID
LMFA12000056
Formula
C15H30O
Exact Mass
Calculate m/z
226.229665
Status
Curated
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)
CJPNOLIZCWDHJK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3
SMILES (Click to copy)
CC(=O)CCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0031081
CHEBI ID
89254
PubChem CID
61303

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 274.21
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.28
Molar Refractivity 71.76

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Created at
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Updated at
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