Structure Database (LMSD)

Common Name
7-hexadecenal
Systematic Name
7-hexadecenal
Synonyms
LM ID
LMFA06000090
Formula
C16H30O
Exact Mass
Calculate m/z
238.229665
Sum Composition
FAL 16:1
Status
Active
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)
BLJFSPZWKBTYHR-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h9-10,16H,2-8,11-15H2,1H3/b10-9+
SMILES (Click to copy)
C(CCCCCC)C/C=C/CCCCCC([H])=O

Other Databases

CHEBI ID
179686
PubChem CID
5283374

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 288.87
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.44
Molar Refractivity 76.28

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Created at
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Updated at
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