Structure Database (LMSD)

Common Name
3,11-Dimethylnonacosan-2-one
Systematic Name
3,11-Dimethylnonacosan-2-one
Synonyms
LM ID
LMFA12000235
Formula
C31H62O
Exact Mass
Calculate m/z
450.480066
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

String Representations

InChiKey (Click to copy)
GQJLFAGGBJJGDA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H62O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-29(2)27-24-21-19-22-25-28-30(3)31(4)32/h29-30H,5-28H2,1-4H3
SMILES (Click to copy)
CC(=O)C(C)CCCCCCCC(C)CCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
205987

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 551.01
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 11.23
Molar Refractivity 145.49

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Created at
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Updated at
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