Structure Database (LMSD)

Common Name
10E-Tridecen-2S-ol
Systematic Name
10E-Tridecen-2S-ol
Synonyms
  • (2S,10E)-10-Tridecen-2-ol
LM ID
LMFA05000518
Formula
C13H26O
Exact Mass
Calculate m/z
198.198365
Sum Composition
FOH 13:1
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
Mayetiola destructor (#39758)
Insecta (#50557)
Identification of sex pheromone components of the hessian fly, Mayetiola destructor.,
J Chem Ecol, 2009
Pubmed ID: 19067080

String Representations

InChiKey (Click to copy)
UQVARQDMXOJMSY-IHVVCDCBSA-N
InChi (Click to copy)
InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h4-5,13-14H,3,6-12H2,1-2H3/b5-4+/t13-/m0/s1
SMILES (Click to copy)
C[C@H](O)CCCCCCC/C=C/CC

Other Databases

CHEBI ID
186944
PubChem CID
45101655

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 239.61
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.35
Molar Refractivity 63.94

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Updated at
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