Structure Database (LMSD)

Common Name
Codlemone
Systematic Name
8E,10E-dodecadien-1-ol
Synonyms
  • dodecan-8E,10E-dien-1-ol
LM ID
LMFA05000046
Status
Active
Exact Mass
Calculate m/z
182.167065
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
CSWBSLXBXRFNST-MQQKCMAXSA-N
InChi (Click to copy)
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+
SMILES (Click to copy)
C(=C/C)\C=C\CCCCCCCO

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cydia pomonella (#82600)
Insecta (#50557)
Sex attractant of the codling moth: characterization with electroantennogram technique.,
Science, 1971
Pubmed ID: 17778064

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 219.67
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.74
Molar Refractivity 59.23

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Created at
-
Updated at
3rd Jun 2021