Structure Database (LMSD)

Common Name
2-methylpentadecanal
Systematic Name
2-methylpentadecanal
Synonyms
LM ID
LMFA06000116
Formula
C16H32O
Exact Mass
Calculate m/z
240.245315
Sum Composition
FAL 16:0
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)
AULXFJFWCQVVTN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)15-17/h15-16H,3-14H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCC(C=O)C)CCCC

Other Databases

CHEBI ID
49190
PubChem CID
14029652
SwissLipids ID
SLM:000389928

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
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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