Structure Database (LMSD)

Common Name
2-methyl-7S,8R-Epoxy-octadecane
Systematic Name
2-methyl-7S,8R-Epoxy-octadecane
Synonyms
LM ID
LMFA12000283
Formula
C19H38O
Exact Mass
Calculate m/z
282.292265
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)
HFOFYNMWYRXIBP-MOPGFXCFSA-N
InChi (Click to copy)
InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19+/m1/s1
SMILES (Click to copy)
CC(C)CCCC[C@@H]1O[C@@H]1CCCCCCCCCC

Other Databases

CHEBI ID
179293
PubChem CID
62850

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 333.69
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.07
Molar Refractivity 90.22

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Created at
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Updated at
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