Structure Database (LMSD)

Common Name
2-methyl-7R,8S-Epoxy-17-octadecene
Systematic Name
2-methyl-7R,8S-Epoxy-17-octadecene
Synonyms
LM ID
LMFA12000281
Formula
C19H36O
Exact Mass
Calculate m/z
280.276615
Status
Curated
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)
VEHBXHNRALNERE-RBUKOAKNSA-N
InChi (Click to copy)
InChI=1S/C19H36O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h4,17-19H,1,5-16H2,2-3H3/t18-,19+/m0/s1
SMILES (Click to copy)
CC(C)CCCC[C@H]1O[C@H]1CCCCCCCCC=C

Other Databases

CHEBI ID
186895
PubChem CID
56936246

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 331.05
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.85
Molar Refractivity 90.12

Admin

Created at
-
Updated at
-