Structure Database (LMSD)

Common Name
2,6,8,12-Tetramethyl-2,4-tridecadien-1-ol
Systematic Name
2,6,8,12-Tetramethyl-2,4-tridecadien-1-ol
Synonyms
LM ID
LMFA05000170
Formula
C17H32O
Exact Mass
Calculate m/z
252.245316
Sum Composition
FOH 17:2
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Trichogramma turkestanica (#72268)
Insecta (#50557)
Partial elucidation of Trichogramma putative sex pheromone at trace levels by solid-phase microextraction and gas chromatography-mass spectrometry studies.,
J Chromatogr A, 2005
Pubmed ID: 15844537

String Representations

InChiKey (Click to copy)
LLOCFLMXYHTSSX-NRHDHWSESA-N
InChi (Click to copy)
InChI=1S/C17H32O/c1-14(2)8-6-9-15(3)12-16(4)10-7-11-17(5)13-18/h7,10-11,14-16,18H,6,8-9,12-13H2,1-5H3/b10-7+,17-11+
SMILES (Click to copy)
OC/C(/C)=C/C=C/C(C)CC(C)CCCC(C)C

Other Databases

CHEBI ID
187180
PubChem CID
44256517

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 306.17
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.25
Molar Refractivity 82.11

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Created at
-
Updated at
11th Dec 2024