Structure Database (LMSD)

Common Name
1,5E-Octadien-3-ol
Systematic Name
1,5E-Octadien-3-ol
Synonyms
LM ID
LMFA05000488
Formula
C8H14O
Exact Mass
Calculate m/z
126.104465
Sum Composition
FOH 8:2
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)
APFBWMGEGSELQP-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3/b6-5+
SMILES (Click to copy)
C=CC(O)C/C=C/CC

Other Databases

HMDB ID
HMDB0030966
CHEBI ID
172005
PubChem CID
6428570

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 150.47
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.18
Molar Refractivity 40.76

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Created at
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Updated at
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