Structure Database (LMSD)

Common Name
6,10,13-Trimethyltetradecan-1-ol
Systematic Name
6,10,13-Trimethyltetradecan-1-ol
Synonyms
LM ID
LMFA05000192
Formula
C17H36O
Exact Mass
Calculate m/z
256.276616
Sum Composition
FOH 17:0
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Stiretrus anchorago (#1891344)
Insecta (#50557)
Synthesis and pheromonal activity of 6,10,13-trimethyl-1-tetradecanol for predatory stink bug,Stiretrus anchorago (Heteroptera: Pentatomidae).,
J Chem Ecol, 1989
Pubmed ID: 24272176

String Representations

InChiKey (Click to copy)
SRDMWNSAYUVWEY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H36O/c1-15(2)12-13-17(4)11-8-10-16(3)9-6-5-7-14-18/h15-18H,5-14H2,1-4H3
SMILES (Click to copy)
OCCCCCC(C)CCCC(C)CCC(C)C

Other Databases

PubChem CID
545755

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 311.45
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.70
Molar Refractivity 82.29

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Created at
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Updated at
11th Dec 2024