Structure Database (LMSD)

Common Name
27-Oxo-11-methylheptacosan-2-one
Systematic Name
27-Oxo-11-methylheptacosan-2-one
Synonyms
LM ID
LMFA12000228
Formula
C28H54O2
Exact Mass
Calculate m/z
422.41238
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)
LQMBZUIUMTXIQA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H54O2/c1-27(24-20-16-12-13-17-21-25-28(2)30)23-19-15-11-9-7-5-3-4-6-8-10-14-18-22-26-29/h26-27H,3-25H2,1-2H3
SMILES (Click to copy)
CC(=O)CCCCCCCCC(C)CCCCCCCCCCCCCCCC(=O)[H]

Other Databases

PubChem CID
56936231

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 505.26
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 9.38
Molar Refractivity 132.10

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Created at
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Updated at
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