Structure Database (LMSD)

Common Name
Undecan-2S-ol
Systematic Name
Undecan-2S-ol
Synonyms
LM ID
LMFA05000512
Formula
C11H24O
Exact Mass
Calculate m/z
172.182715
Sum Composition
FOH 11:0
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
Resseliella theobaldi (#650427)
Insecta (#50557)
(S)-2-acetoxy-5-undecanone, female sex pheromone of the raspberry cane midge, Resseliella theobaldi (Barnes).,
J Chem Ecol, 2009
Pubmed ID: 19169750

String Representations

InChiKey (Click to copy)
XMUJIPOFTAHSOK-NSHDSACASA-N
InChi (Click to copy)
InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3/t11-/m0/s1
SMILES (Click to copy)
C[C@H](O)CCCCCCCCC

Other Databases

PubChem CID
12512250

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 207.65
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.79
Molar Refractivity 54.80

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Created at
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Updated at
19th Dec 2024