Structure Database (LMSD)

Common Name
9Z,18Z-Hentriacontadiene
Systematic Name
9Z,18Z-Hentriacontadiene
Synonyms
LM ID
LMFA11000150
Formula
Exact Mass
Calculate m/z
432.4695
Status
Active

Classification

Category
Main Class
Sub Class

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hydrotaea aenescens (#221905)
Insecta (#50557)
Distinctive hydrocarbons of the black dump fly, Hydrotaea aenescens (Diptera: Muscidae).,
Arch Insect Biochem Physiol, 2001
Pubmed ID: 11746561

String Representations

InChiKey (Click to copy)
KIQYQOLLELSYNU-ZOFZOHNUSA-N
InChi (Click to copy)
InChI=1S/C31H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,26,28H,3-16,18,20-25,27,29-31H2,1-2H3/b19-17-,28-26-
SMILES (Click to copy)
CCCCCCCC/C=C\CCCCCCC/C=C\CCCCCCCCCCCC

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 539.58
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.89
Molar Refractivity 145.05

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Created at
-
Updated at
4th Apr 2022