Structure Database (LMSD)

Common Name
2,4,6,8,10-dodecapentaenal
Systematic Name
2,4,6,8,10-dodecapentaenal
Synonyms
LM ID
LMFA06000073
Formula
C12H14O
Exact Mass
Calculate m/z
174.104465
Sum Composition
FAL 12:5
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)
NLPJEWTYXLOFLM-GNUNTXLASA-N
InChi (Click to copy)
InChI=1S/C12H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+
SMILES (Click to copy)
C(=C/C)\C=C\C=C\C=C\C=C\C([H])=O

Other Databases

CHEBI ID
137718
PubChem CID
5283362

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 209.11
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.99
Molar Refractivity 57.44

Admin

Created at
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Updated at
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