Structure Database (LMSD)

Common Name
3R,4S-epoxy-6Z,9Z-heptadecadiene
Systematic Name
3R,4S-epoxy-6Z,9Z-heptadecadiene
Synonyms
LM ID
LMFA12000273
Formula
C17H30O
Exact Mass
Calculate m/z
250.229665
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)
VDCIZKQRWVMECW-DDHUGVIXSA-N
InChi (Click to copy)
InChI=1S/C17H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-16(4-2)18-17/h10-11,13-14,16-17H,3-9,12,15H2,1-2H3/b11-10-,14-13-/t16-,17+/m1/s1
SMILES (Click to copy)
CC[C@H]1O[C@H]1C/C=C\C/C=C\CCCCCCC

Other Databases

CHEBI ID
188051
PubChem CID
14681522

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 293.81
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.99
Molar Refractivity 80.87

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Updated at
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