Structure Database (LMSD)

Common Name
2-tridecenal
Systematic Name
2-tridecenal
Synonyms
LM ID
LMFA06000075
Formula
C13H24O
Exact Mass
Calculate m/z
196.182715
Sum Composition
FAL 13:1
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)
VMUNAKQXJLHODT-VAWYXSNFSA-N
InChi (Click to copy)
InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3/b12-11+
SMILES (Click to copy)
C(CCC)CCCCCC/C=C/C([H])=O

Other Databases

HMDB ID
HMDB0037275
CHEBI ID
184224
PubChem CID
5283363

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 236.97
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.27
Molar Refractivity 62.43

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Created at
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Updated at
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