Structure Database (LMSD)

Common Name
undecaprenol
Systematic Name
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42-undecaen-1-ol
Synonyms
  • Undecaprenol
LM ID
LMPR03010007
Status
Active
Exact Mass
Calculate m/z
766.699165
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
TXKJNHBRVLCYFX-RDQGWRCRSA-N
InChi (Click to copy)
InChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+
SMILES (Click to copy)
C(/CC/C(/C)=C/CC/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)/C)=C(\C)/C

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 56
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 939.81
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 18.49
Molar Refractivity 256.92

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Created at
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Updated at
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