(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane

C107H152O13Si2 — CID 159541222

IUPAC(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane
SMILESCCCCCCCC#CC[C@@H](C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](C)CC#C/C=C/CCC[C@H](CC3=C[C@H](C)OC3=O)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1.CCCCCCCC#CC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CC#C/C=C/CCC[C@H](CC3=C[C@H](C)OC3=O)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1.CCOC
InChIInChI=1S/C53H74O5Si.C51H70O7Si.C3H8O/c1-8-9-10-11-12-13-16-21-28-41(2)48-35-37-50(56-48)51-38-36-49(57-51)42(3)29-22-17-14-15-18-23-30-45(40-44-39-43(4)55-52(44)54)58-59(53(5,6)7,46-31-24-19-25-32-46)47-33-26-20-27-34-47;1-6-7-8-9-10-11-15-24-31-44(52)46-33-35-48(56-46)49-36-34-47(57-49)45(53)32-25-16-13-12-14-19-26-41(38-40-37-39(2)55-50(40)54)58-59(51(3,4)5,42-27-20-17-21-28-42)43-29-22-18-23-30-43;1-3-4-2/h14-15,19-20,24-27,31-34,39,41-43,45,48-51H,8-13,18,23,28-30,35-38,40H2,1-7H3;12-13,17-18,20-23,27-30,37,39,41,44-49,52-53H,6-11,14,19,26,31-36,38H2,1-5H3;3H2,1-2H3/b15-14+;13-12+;/t41-,42-,43+,45-,48-,49-,50-,51-;39-,41+,44+,45+,46+,47+,48+,49+;/m10./s1
InChIKeyMEFUZECYBOHIAD-RUJGRHPMSA-N
MW1702.55 g/mol
LogP20.97
Rot. Bonds41

About (2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane

(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane (PubChem CID 159541222) has the molecular formula C107H152O13Si2 and a molecular weight of 1702.55 g/mol. Its IUPAC name is (2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane.

Molecular Properties

Compound Name(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane
PubChem CID159541222
Molecular FormulaC107H152O13Si2
Molecular Weight1702.55 g/mol
Exact Mass1701.08
IUPAC Name(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane
SMILESCCCCCCCC#CC[C@@H](C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](C)CC#C/C=C/CCC[C@H](CC3=C[C@H](C)OC3=O)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1.CCCCCCCC#CC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CC#C/C=C/CCC[C@H](CC3=C[C@H](C)OC3=O)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1.CCOC
InChIInChI=1S/C53H74O5Si.C51H70O7Si.C3H8O/c1-8-9-10-11-12-13-16-21-28-41(2)48-35-37-50(56-48)51-38-36-49(57-51)42(3)29-22-17-14-15-18-23-30-45(40-44-39-43(4)55-52(44)54)58-59(53(5,6)7,46-31-24-19-25-32-46)47-33-26-20-27-34-47;1-6-7-8-9-10-11-15-24-31-44(52)46-33-35-48(56-46)49-36-34-47(57-49)45(53)32-25-16-13-12-14-19-26-41(38-40-37-39(2)55-50(40)54)58-59(51(3,4)5,42-27-20-17-21-28-42)43-29-22-18-23-30-43;1-3-4-2/h14-15,19-20,24-27,31-34,39,41-43,45,48-51H,8-13,18,23,28-30,35-38,40H2,1-7H3;12-13,17-18,20-23,27-30,37,39,41,44-49,52-53H,6-11,14,19,26,31-36,38H2,1-5H3;3H2,1-2H3/b15-14+;13-12+;/t41-,42-,43+,45-,48-,49-,50-,51-;39-,41+,44+,45+,46+,47+,48+,49+;/m10./s1
InChIKeyMEFUZECYBOHIAD-RUJGRHPMSA-N
XLogP20.97
TPSA157.67 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds41
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001702.55
LogP ≤ 520.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-[(2R,5E,8R,11E,15E,19E)-2-[tert-butyl(diphenyl)silyl]oxy-8-hydroxydotriaconta-5,11,15,19-tetraenyl]-2-methyl-2H-furan-5-one
CID 11040097
(2S)-4-[(2R,7E,10S,13E,17E)-2-[tert-butyl(diphenyl)silyl]oxy-10-(methoxymethoxy)triaconta-7,13,17-trienyl]-2-methyl-2H-furan-5-one
CID 11468515
(2S)-4-[(2R,8R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-8,13-dihydroxy-13-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 25034378
(2S)-4-[(E,2R,13R)-13-[(2R,5R)-5-[(2S,5R,6S)-6-decyl-5-hydroxyoxan-2-yl]oxolan-2-yl]-2,13-bis(methoxymethoxy)tridec-6-en-8-ynyl]-2-methyl-2H-furan-5-one
CID 177437350
(2S)-4-[(E,2R,13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-13-hydroxytridec-10-enyl]-2-methyl-2H-furan-5-one
CID 24813926
(2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-(methoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(methoxymethoxy)non-2-enyl]oxolan-2-yl]oxolan-2-yl]tridec-11-enyl]-2-methyl-2H-furan-5-one
CID 101400844
(2S)-4-[8-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodecan-2-yl]oxolan-2-yl]oxolan-2-yl]-2-(methoxymethoxy)tetradeca-4,11-diynyl]-2-methyl-2H-furan-5-one;tert-butyl-[10-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodecan-2-yl]oxolan-2-yl]oxolan-2-yl]undeca-1,8-diyn-5-yloxy]-dimethylsilane;methoxyethane
CID 159373294
(2S)-4-[(2R,10S)-2-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-10-[(2S,6R)-6-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]oxan-2-yl]deca-6,8-diynyl]-2-methyl-2H-furan-5-one
CID 10865609
(2S)-4-[(2R,9R)-2,9-bis(trimethylsilyloxy)-9-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-trimethylsilyloxypentadecyl]oxolan-2-yl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
CID 11803635
(2S)-4-[(2R,7R)-2-hydroxy-7-(methoxymethoxy)-7-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]oxolan-2-yl]hept-4-ynyl]-2-methyl-2H-furan-5-one
CID 11204680
(2S)-4-[(E,2R,13R)-2,13-dihydroxy-13-[(2R,5S)-5-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridec-9-enyl]-2-methyl-2H-furan-5-one
CID 11238982
(2R)-4-[(2S,11R)-2,11-dihydroxy-11-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one
CID 163081270

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane?
The IUPAC name of (2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane (CID 159541222) is (2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane.
What is the SMILES notation for (2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane?
The canonical SMILES for (2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane is CCCCCCCC#CC[C@@H](C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](C)CC#C/C=C/CCC[C@H](CC3=C[C@H](C)OC3=O)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1.CCCCCCCC#CC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CC#C/C=C/CCC[C@H](CC3=C[C@H](C)OC3=O)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1.CCOC.
What is the InChIKey of (2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane?
The InChIKey is MEFUZECYBOHIAD-RUJGRHPMSA-N. The full InChI is InChI=1S/C53H74O5Si.C51H70O7Si.C3H8O/c1-8-9-10-11-12-13-16-21-28-41(2)48-35-37-50(56-48)51-38-36-49(57-51)42(3)29-22-17-14-15-18-23-30-45(40-44-39-43(4)55-52(44)54)58-59(53(5,6)7,46-31-24-19-25-32-46)47-33-26-20-27-34-47;1-6-7-8-9-10-11-15-24-31-44(52)46-33-35-48(56-46)49-36-34-47(57-49)45(53)32-25-16-13-12-14-19-26-41(38-40-37-39(2)55-50(40)54)58-59(51(3,4)5,42-27-20-17-21-28-42)43-29-22-18-23-30-43;1-3-4-2/h14-15,19-20,24-27,31-34,39,41-43,45,48-51H,8-13,18,23,28-30,35-38,40H2,1-7H3;12-13,17-18,20-23,27-30,37,39,41,44-49,52-53H,6-11,14,19,26,31-36,38H2,1-5H3;3H2,1-2H3/b15-14+;13-12+;/t41-,42-,43+,45-,48-,49-,50-,51-;39-,41+,44+,45+,46+,47+,48+,49+;/m10./s1.
What are the key properties of (2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane?
(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane has a molecular weight of 1702.55 g/mol, XLogP of 20.97, 41 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-[(2R,5R)-5-[(2R,5R)-5-[(2R)-dodec-4-yn-2-yl]oxolan-2-yl]oxolan-2-yl]dodec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;(2S)-4-[(E,2R,11R)-2-[tert-butyl(diphenyl)silyl]oxy-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundec-3-ynyl]oxolan-2-yl]oxolan-2-yl]undec-6-en-8-ynyl]-2-methyl-2H-furan-5-one;methoxyethane is sourced from PubChem (CID 159541222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).