Structure Database (LMSD)

Common Name
6E,8-nonadien-2S-ol
Systematic Name
6E,8-nonadien-2S-ol
Synonyms
LM ID
LMFA05000501
Formula
C9H16O
Exact Mass
Calculate m/z
140.120115
Sum Composition
FOH 9:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
KOFXIBPKWDCMSE-MOVJSRMASA-N
InChi (Click to copy)
InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h3-5,9-10H,1,6-8H2,2H3/b5-4+/t9-/m0/s1
SMILES (Click to copy)
C[C@H](O)CCC/C=C/C=C

Other Databases

CHEBI ID
195707
PubChem CID
56935891

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 167.77
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.57
Molar Refractivity 45.38

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Created at
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Updated at
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