Structure Database (LMSD)

Common Name
11-octadecenal
Systematic Name
11-octadecenal
Synonyms
LM ID
LMFA06000100
Formula
C18H34O
Exact Mass
Calculate m/z
266.260965
Sum Composition
FAL 18:1
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)
YSSVMXHKWSNHLH-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h7-8,18H,2-6,9-17H2,1H3/b8-7+
SMILES (Click to copy)
C(/C=C/CCCCCC)CCCCCCCCC([H])=O

Other Databases

PubChem CID
5283382

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 323.47
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.22
Molar Refractivity 85.52

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Created at
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Updated at
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