Structure Database (LMSD)

Common Name
5,6-undecadien-8,10-diyn-1-ol
Systematic Name
5,6(R)-undecadien-8,10-diyn-1-ol
Synonyms
LM ID
LMFA05000709
Formula
C11H12O
Exact Mass
Calculate m/z
160.088815
Sum Composition
FOH 11:6
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
MRHLMUSHMPEPEM-LURJTMIESA-N
InChi (Click to copy)
InChI=1S/C11H12O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,5,7,12H,8-11H2/t6-/m0/s1
SMILES (Click to copy)
C(CC([H])=[C@]=C([H])C#CC#C)CCO

Other Databases

PubChem CID
101409822

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 191.81
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.78
Molar Refractivity 50.69

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Created at
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Updated at
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