Structure Database (LMSD)

O
Common Name
3-Methylpentadecan-2-one
Systematic Name
3-Methylpentadecan-2-one
Synonyms
LM ID
LMFA12000183
Formula
C16H32O
Exact Mass
Calculate m/z
240.245315
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
OHERYIXJQJIISS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(3)17/h15H,4-14H2,1-3H3
SMILES (Click to copy)
CC(=O)C(C)CCCCCCCCCCCC

References

Other Databases

CHEBI ID
179364
PubChem CID
20648314

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 291.51
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.52
Molar Refractivity 76.31

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Created at
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Updated at
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