Structure database (LMSD)

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LM IDLMFA06000116
Common Name2-methylpentadecanal
Systematic Name2-methylpentadecanal
Synonyms-
Exact Mass
240.2453 (neutral)    Calculate m/z:
FormulaC16H32O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 16:0
PubChem CID14029652
CHEBI ID49190
SWISSLIPIDS IDSLM:000389928
InChIKeyAULXFJFWCQVVTN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
C(CCCCCCCCC(C=O)C)CCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
291.51Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.52Molar
Refractivity
76.31