Structure Database (LMSD)

Common Name
2,8-decadiene-4,6-diyn-1-al
Systematic Name
2,8-decadiene-4,6-diyn-1-al
Synonyms
LM ID
LMFA06000062
Formula
C10H8O
Exact Mass
Calculate m/z
144.057515
Sum Composition
FAL 10:6
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)
CPEFMWOEEFVIBR-VHYPUYLQSA-N
InChi (Click to copy)
InChI=1S/C10H8O/c1-2-3-4-5-6-7-8-9-10-11/h2-3,8-10H,1H3/b3-2+,9-8+
SMILES (Click to copy)
C(=C/C#CC#C/C=C/C)\C([H])=O

Other Databases

CHEBI ID
137804
PubChem CID
5283354

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 171.87
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 1.32
Molar Refractivity 45.57

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Created at
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Updated at
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