Structure Database (LMSD)
Common Name
6S,7R-epoxy-3Z,9Z-heptadecadiene
Systematic Name
6S,7R-epoxy-3Z,9Z-heptadecadiene
Synonyms
3D model of 6S,7R-epoxy-3Z,9Z-heptadecadiene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
IRQMBAZFZUBVIJ-ILIQPSMISA-N
InChi (Click to copy)
InChI=1S/C17H30O/c1-3-5-7-8-9-10-11-13-15-17-16(18-17)14-12-6-4-2/h6,11-13,16-17H,3-5,7-10,14-15H2,1-2H3/b12-6-,13-11-/t16-,17+/m0/s1
SMILES (Click to copy)
CC/C=C\C[C@@H]1O[C@@H]1C/C=C\CCCCCCC
Other Databases
PubChem CID
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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Created at
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Updated at
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