Structure Database (LMSD)

Common Name
6Z-Nonen-2S-ol
Systematic Name
6Z-Nonen-2S-ol
Synonyms
LM ID
LMFA05000496
Formula
C9H18O
Exact Mass
Calculate m/z
142.135765
Sum Composition
FOH 9:1
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 Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Eriocrania semipurpurella (#41180)
Insecta (#50557)
Pheromone specificity inEriocrania semipurpurella (Stephens) and E. sangii (Wood) (Lepidoptera: Eriocraniidae) based on chirality of semiochemicals,
J Chem Ecol, 1996

String Representations

InChiKey (Click to copy)
QDFDXJMZVKJYKY-WBSSQXGSSA-N
InChi (Click to copy)
InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h4-5,9-10H,3,6-8H2,1-2H3/b5-4-/t9-/m0/s1
SMILES (Click to copy)
O[C@H](CCC/C=C\CC)C

Other Databases

CHEBI ID
179608
PubChem CID
56935889

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 170.41
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.79
Molar Refractivity 45.47

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Created at
-
Updated at
28th Nov 2024