Structure Database (LMSD)

Common Name
13-methyltetradecanal
Systematic Name
13-methyltetradecanal
Synonyms
  • isopentadecanal
LM ID
LMFA06000258
Formula
C15H30O
Exact Mass
Calculate m/z
226.229665
Sum Composition
FAL 15:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

String Representations

InChiKey (Click to copy)
KEKMLOYOUUVRDN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h14-15H,3-13H2,1-2H3
SMILES (Click to copy)
C(CCC(C)C)CCCCCCCCC([H])=O

Other Databases

CHEBI ID
71034
PubChem CID
11085507
SwissLipids ID
SLM:000000565

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 5.13
Molar Refractivity 71.69

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Created at
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Updated at
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