Structure Database (LMSD)

Common Name
Decaprenol
Systematic Name
3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38-decaen-1-ol
Synonyms
  • omega,E,octa-Z-decaprenol
LM ID
LMPR03010008
Formula
C50H82O
Exact Mass
Calculate m/z
698.636565
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Polyprenols [PR03]
Bactoprenols [PR0301]

String Representations

InChiKey (Click to copy)
RORDEOUGMCQERP-DJNGBRKISA-N
InChi (Click to copy)
InChI=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)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-
SMILES (Click to copy)
C/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

Other Databases

PubChem CID
10963554

Calculated Physicochemical Properties

Heavy Atoms 51
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 855.95
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 16.77
Molar Refractivity 233.93

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Created at
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Updated at
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