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
C12H22O
Abbrev
FOH 12:2
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

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
1787910

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

Reactions

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Created at
-
Updated at
25th Apr 2022