Structure Database (LMSD)

Common Name
Nonan-3-ol
Systematic Name
Nonan-3-ol
Synonyms
LM ID
LMFA05000507
Formula
C9H20O
Exact Mass
Calculate m/z
144.151415
Sum Composition
FOH 9:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Epeolus cruciger (#601059)
Insecta (#50557)
Volatile Compounds from Cephalic Secretions of Females in two Cleptoparasite Bee Genera, Epeolus (Hym., Anthophoridae) and Coelioxys (Hym., Megachilidae),
Z Naturforsch C, 1982

String Representations

InChiKey (Click to copy)
GYSCXPVAKHVAAY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3
SMILES (Click to copy)
CCC(O)CCCCCC

Other Databases

HMDB ID
HMDB0031732
CHEBI ID
165508
PubChem CID
12216

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 173.05
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.01
Molar Refractivity 45.57

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Created at
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Updated at
9th Dec 2024