Structure Database (LMSD)

Common Name
3-Methylbutyl decanoate
Systematic Name
3-methylbutyl decanoate
Synonyms
LM ID
LMFA07010758
Formula
C15H30O2
Exact Mass
Calculate m/z
242.22458
Sum Composition
WE 15:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
XDOGFYDZGUDBQY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCC(=O)OCCC(C)C

Other Databases

HMDB ID
HMDB0038907
CHEBI ID
172090
PubChem CID
75320

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 283.00
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.00
Molar Refractivity 73.51

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Created at
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Updated at
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