Structure Database (LMSD)

Common Name
9E-Dodecenal
Systematic Name
9E-Dodecenal
Synonyms
LM ID
LMFA06000154
Formula
C12H22O
Exact Mass
Calculate m/z
182.167065
Sum Composition
FAL 12:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
QGUDMPDYXLMJNK-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,12H,2,5-11H2,1H3/b4-3+
SMILES (Click to copy)
C(CCCCCCC/C=C/CC)(=O)[H]

Other Databases

PubChem CID
6430172

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 219.67
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.88
Molar Refractivity 57.81

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Created at
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Updated at
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