Structure Database (LMSD)

Common Name
6-oxo-Nonan-1-ol
Systematic Name
6-oxo-Nonan-1-ol
Synonyms
LM ID
LMFA05000138
Formula
C9H18O2
Exact Mass
Calculate m/z
158.13068
Sum Composition
FOH 9:1;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
AGSKJBKUKWUEEU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O2/c1-2-6-9(11)7-4-3-5-8-10/h10H,2-8H2,1H3
SMILES (Click to copy)
OCCCCCC(=O)CCC

Other Databases

CHEBI ID
179888
PubChem CID
11412527

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 179.20
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.19
Molar Refractivity 45.96

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Created at
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Updated at
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