Structure Database (LMSD)

Common Name
3,4-octadien-5,7-diyn-1-ol
Systematic Name
3,4(R)-octadien-5,7-diyn-1-ol
Synonyms
LM ID
LMFA05000707
Formula
C9H8O
Exact Mass
Calculate m/z
132.057515
Sum Composition
FOH 9:6
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)
WHVOFFPTHILKQP-LURJTMIESA-N
InChi (Click to copy)
InChI=1S/C9H8O/c1-2-3-4-5-6-7-8-9-10/h1,5,7,10H,8-9H2/t6-/m0/s1
SMILES (Click to copy)
C(CC([H])=[C@]=C([H])C#CC#C)O

Other Databases

PubChem CID
15560105

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 157.21
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1
Molar Refractivity 41.45

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Created at
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Updated at
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