Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102010025
Common Name-
Systematic Name2,6-Dimethyl-2,3R-epoxyocta-5E,7-diene
Synonyms-
Exact Mass
152.1201 (neutral)    Calculate m/z:
FormulaC10H16O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Acyclic monoterpenoids [PR010201]
PubChem Compound ID (CID)14701630
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID-
InChIKeyLIMXJCIGROLRED-BNICOGTQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3/b8-6+/t9-/m1/s1
SMILESC/C(/C=C)=C\C[C@@H]1OC1(C)C
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms11Rings1Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
172.71Topological Polar
Surface Area
12.53Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP3.26Molar
Refractivity
48.55    
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