Structure database (LMSD)

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LM IDLMPR03010008
Common NameDecaprenol
Systematic Name3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,
34E,38-decaen-1-ol
Synonymsω,E,octa-Z-decaprenol
Exact Mass
698.6366 (neutral)    Calculate m/z:
FormulaC50H82O
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassBactoprenols [PR0301]
PubChem CID10963554
InChIKeyRORDEOUGMCQERP-DJNGBRKISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6
)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-5
1/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H
3/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-
SMILESC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC/C
(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms51Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
855.95Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP16.77Molar
Refractivity
233.93