Structure Database (LMSD)

Common Name
8Z-Heptadecen-2S-ol
Systematic Name
8Z-Heptadecen-2S-ol
Synonyms
  • (2S,Z)-8-Heptadecen-2-ol
LM ID
LMFA05000528
Formula
C17H34O
Exact Mass
Calculate m/z
254.260966
Sum Composition
FOH 17:1
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
Rhopalomyia longicauda (#512816)
Insecta (#50557)
(2S,8Z)-2-butyroxy-8-heptadecene: major component of the sex pheromone of chrysanthemum gall midge, Rhopalomyia longicauda.,
J Chem Ecol, 2009
Pubmed ID: 19554372

String Representations

InChiKey (Click to copy)
MOLUOORQSUBBLU-MQNTZWLQSA-N
InChi (Click to copy)
InChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h10-11,17-18H,3-9,12-16H2,1-2H3/b11-10-/t17-/m0/s1
SMILES (Click to copy)
C[C@H](O)CCCCC/C=C\CCCCCCCC

Other Databases

PubChem CID
56935894

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 308.81
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.91
Molar Refractivity 82.41

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Created at
-
Updated at
9th Dec 2024