[(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane

C107H198O13Si8 — CID 139249834

IUPAC[(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane
SMILESCC[Si](CC)(CC)OC(C/C(=C/CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(C)(C)/C=C/[C@H]1C/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C[C@]2(OC)O[C@H](C[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@H](OCc3ccccc3)C2(C)C)O1
InChIInChI=1S/C107H198O13Si8/c1-43-125(44-2,45-3)120-99(74-90(63-67-113-127(84(10)11,85(12)13)86(14)15)72-94(119-124(41,42)103(23,24)25)76-98(111-80-109-69-70-121(34,35)36)87(16)117-122(37,38)101(17,18)19)105(29,30)65-61-91-71-89(62-66-112-126(81(4)5,82(6)7)83(8)9)73-95(115-91)78-107(108-33)106(31,32)100(110-79-88-55-49-46-50-56-88)77-93(116-107)75-92(118-123(39,40)102(20,21)22)64-68-114-128(104(26,27)28,96-57-51-47-52-58-96)97-59-53-48-54-60-97/h46-63,65,81-87,91-95,98-100H,43-45,64,66-80H2,1-42H3/b65-61+,89-62+,90-63+/t87-,91+,92+,93-,94+,95+,98-,99?,100+,107+/m1/s1
InChIKeyGNQGWWSHLMLCJU-PGRREZKCSA-N
MW1917.44 g/mol
LogP30.29
Rot. Bonds53

About [(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane

[(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane (PubChem CID 139249834) has the molecular formula C107H198O13Si8 and a molecular weight of 1917.44 g/mol. Its IUPAC name is [(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane
PubChem CID139249834
Molecular FormulaC107H198O13Si8
Molecular Weight1917.44 g/mol
Exact Mass1915.30
IUPAC Name[(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane
SMILESCC[Si](CC)(CC)OC(C/C(=C/CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(C)(C)/C=C/[C@H]1C/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C[C@]2(OC)O[C@H](C[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@H](OCc3ccccc3)C2(C)C)O1
InChIInChI=1S/C107H198O13Si8/c1-43-125(44-2,45-3)120-99(74-90(63-67-113-127(84(10)11,85(12)13)86(14)15)72-94(119-124(41,42)103(23,24)25)76-98(111-80-109-69-70-121(34,35)36)87(16)117-122(37,38)101(17,18)19)105(29,30)65-61-91-71-89(62-66-112-126(81(4)5,82(6)7)83(8)9)73-95(115-91)78-107(108-33)106(31,32)100(110-79-88-55-49-46-50-56-88)77-93(116-107)75-92(118-123(39,40)102(20,21)22)64-68-114-128(104(26,27)28,96-57-51-47-52-58-96)97-59-53-48-54-60-97/h46-63,65,81-87,91-95,98-100H,43-45,64,66-80H2,1-42H3/b65-61+,89-62+,90-63+/t87-,91+,92+,93-,94+,95+,98-,99?,100+,107+/m1/s1
InChIKeyGNQGWWSHLMLCJU-PGRREZKCSA-N
XLogP30.29
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds53
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001917.44
LogP ≤ 530.29
H-Bond Donors ≤ 50
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane (CID 139249834) is [(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane is CC[Si](CC)(CC)OC(C/C(=C/CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(C)(C)/C=C/[C@H]1C/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C[C@]2(OC)O[C@H](C[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@H](OCc3ccccc3)C2(C)C)O1.
What is the InChIKey of [(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane?
The InChIKey is GNQGWWSHLMLCJU-PGRREZKCSA-N. The full InChI is InChI=1S/C107H198O13Si8/c1-43-125(44-2,45-3)120-99(74-90(63-67-113-127(84(10)11,85(12)13)86(14)15)72-94(119-124(41,42)103(23,24)25)76-98(111-80-109-69-70-121(34,35)36)87(16)117-122(37,38)101(17,18)19)105(29,30)65-61-91-71-89(62-66-112-126(81(4)5,82(6)7)83(8)9)73-95(115-91)78-107(108-33)106(31,32)100(110-79-88-55-49-46-50-56-88)77-93(116-107)75-92(118-123(39,40)102(20,21)22)64-68-114-128(104(26,27)28,96-57-51-47-52-58-96)97-59-53-48-54-60-97/h46-63,65,81-87,91-95,98-100H,43-45,64,66-80H2,1-42H3/b65-61+,89-62+,90-63+/t87-,91+,92+,93-,94+,95+,98-,99?,100+,107+/m1/s1.
What are the key properties of [(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane?
[(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane has a molecular weight of 1917.44 g/mol, XLogP of 30.29, 53 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,5S,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E)-5-[(2R,4Z,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-2-triethylsilyloxypent-4-enyl]-7-(2-trimethylsilylethoxymethoxy)non-2-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 139249834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).