Structure Database (LMSD)

Common Name
3S,4R-Epoxy-6Z,9Z-nonadecadiene
Systematic Name
3S,4R-Epoxy-6Z,9Z-nonadecadiene
Synonyms
LM ID
LMFA12000300
Formula
C19H34O
Exact Mass
Calculate m/z
278.260965
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
BDTRZWQPTAKTIF-YWHCSOEBSA-N
InChi (Click to copy)
InChI=1S/C19H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(4-2)20-19/h12-13,15-16,18-19H,3-11,14,17H2,1-2H3/b13-12-,16-15-/t18-,19+/m0/s1
SMILES (Click to copy)
CC[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCCCCCCC

Other Databases

CHEBI ID
179592
PubChem CID
11780867

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 328.41
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.77
Molar Refractivity 90.10

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Updated at
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