(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

C87H154O11Si2 — CID 159373294

IUPAC(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
SMILESC#CCCC(CCC#CC(C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](C)CCCCCCCCCC)O2)O1)O[Si](C)(C)C(C)(C)C.CCCCCCCCCC[C@@H](C)[C@H]1CC[C@H]([C@H]2CC[C@H](C(C)C#CCCC(CCC#CCC(CC3=C[C@H](C)OC3=O)OCOC)O[Si](C)(C)C(C)(C)C)O2)O1.CCOC
InChIInChI=1S/C47H80O7Si.C37H66O3Si.C3H8O/c1-11-12-13-14-15-16-17-19-24-36(2)42-29-31-44(52-42)45-32-30-43(53-45)37(3)25-22-23-27-40(54-55(9,10)47(5,6)7)26-20-18-21-28-41(50-35-49-8)34-39-33-38(4)51-46(39)48;1-10-12-14-15-16-17-18-19-22-30(3)33-26-28-35(38-33)36-29-27-34(39-36)31(4)23-20-21-25-32(24-13-11-2)40-41(8,9)37(5,6)7;1-3-4-2/h33,36-38,40-45H,11-17,19-20,23-24,26-32,34-35H2,1-10H3;2,30-36H,10,12-19,21-22,24-29H2,1,3-9H3;3H2,1-2H3/t36-,37?,38+,40?,41?,42-,43-,44-,45-;30-,31?,32?,33-,34-,35-,36-;/m11./s1
InChIKeyLJZVVPZBHAESRM-QEVBHYHMSA-N
MW1432.35 g/mol
LogP22.61
Rot. Bonds43

About (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

(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 (PubChem CID 159373294) has the molecular formula C87H154O11Si2 and a molecular weight of 1432.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159373294
Molecular FormulaC87H154O11Si2
Molecular Weight1432.35 g/mol
Exact Mass1431.10
IUPAC Name(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
SMILESC#CCCC(CCC#CC(C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](C)CCCCCCCCCC)O2)O1)O[Si](C)(C)C(C)(C)C.CCCCCCCCCC[C@@H](C)[C@H]1CC[C@H]([C@H]2CC[C@H](C(C)C#CCCC(CCC#CCC(CC3=C[C@H](C)OC3=O)OCOC)O[Si](C)(C)C(C)(C)C)O2)O1.CCOC
InChIInChI=1S/C47H80O7Si.C37H66O3Si.C3H8O/c1-11-12-13-14-15-16-17-19-24-36(2)42-29-31-44(52-42)45-32-30-43(53-45)37(3)25-22-23-27-40(54-55(9,10)47(5,6)7)26-20-18-21-28-41(50-35-49-8)34-39-33-38(4)51-46(39)48;1-10-12-14-15-16-17-18-19-22-30(3)33-26-28-35(38-33)36-29-27-34(39-36)31(4)23-20-21-25-32(24-13-11-2)40-41(8,9)37(5,6)7;1-3-4-2/h33,36-38,40-45H,11-17,19-20,23-24,26-32,34-35H2,1-10H3;2,30-36H,10,12-19,21-22,24-29H2,1,3-9H3;3H2,1-2H3/t36-,37?,38+,40?,41?,42-,43-,44-,45-;30-,31?,32?,33-,34-,35-,36-;/m11./s1
InChIKeyLJZVVPZBHAESRM-QEVBHYHMSA-N
XLogP22.61
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds43
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001432.35
LogP ≤ 522.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Related Compounds

4-[8-[tert-butyl(dimethyl)silyl]oxy-2,13-bis(methoxymethoxy)-13-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]trideca-4,11-diynyl]-2-methyl-2H-furan-5-one
CID 68649258
(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
1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 87530115
tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane
CID 76585895
(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-[(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,13R)-13-[tert-butyl(dimethyl)silyl]oxy-2-methyl-13-[(2R,5S)-5-[(2S)-tetradecan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 59456645
(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)-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-[(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-[(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
(2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one
CID 134864404

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C#CCCC(CCC#CC(C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](C)CCCCCCCCCC)O2)O1)O[Si](C)(C)C(C)(C)C.CCCCCCCCCC[C@@H](C)[C@H]1CC[C@H]([C@H]2CC[C@H](C(C)C#CCCC(CCC#CCC(CC3=C[C@H](C)OC3=O)OCOC)O[Si](C)(C)C(C)(C)C)O2)O1.CCOC.
What is the InChIKey of (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?
The InChIKey is LJZVVPZBHAESRM-QEVBHYHMSA-N. The full InChI is InChI=1S/C47H80O7Si.C37H66O3Si.C3H8O/c1-11-12-13-14-15-16-17-19-24-36(2)42-29-31-44(52-42)45-32-30-43(53-45)37(3)25-22-23-27-40(54-55(9,10)47(5,6)7)26-20-18-21-28-41(50-35-49-8)34-39-33-38(4)51-46(39)48;1-10-12-14-15-16-17-18-19-22-30(3)33-26-28-35(38-33)36-29-27-34(39-36)31(4)23-20-21-25-32(24-13-11-2)40-41(8,9)37(5,6)7;1-3-4-2/h33,36-38,40-45H,11-17,19-20,23-24,26-32,34-35H2,1-10H3;2,30-36H,10,12-19,21-22,24-29H2,1,3-9H3;3H2,1-2H3/t36-,37?,38+,40?,41?,42-,43-,44-,45-;30-,31?,32?,33-,34-,35-,36-;/m11./s1.
What are the key properties of (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?
(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 has a molecular weight of 1432.35 g/mol, XLogP of 22.61, 43 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159373294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).