[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane

C80H172O12Si8 — CID 10931333

IUPAC[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCCCCCCCCC/C=C/CCCCCCCCCO[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C80H172O12Si8/c1-73(2,3)93(25,26)83-61-63-65(87-95(29,30)75(7,8)9)67(89-97(33,34)77(13,14)15)69(91-99(37,38)79(19,20)21)71(85-63)81-59-57-55-53-51-49-47-45-43-41-42-44-46-48-50-52-54-56-58-60-82-72-70(92-100(39,40)80(22,23)24)68(90-98(35,36)78(16,17)18)66(88-96(31,32)76(10,11)12)64(86-72)62-84-94(27,28)74(4,5)6/h41-42,63-72H,43-62H2,1-40H3/b42-41+/t63-,64-,65-,66-,67+,68+,69-,70-,71-,72-/m1/s1
InChIKeyLLPJXDLOFLAXQL-XXXBZZDUSA-N
MW1550.93 g/mol
LogP25.65
Rot. Bonds40

About [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane

[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10931333) has the molecular formula C80H172O12Si8 and a molecular weight of 1550.93 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10931333
Molecular FormulaC80H172O12Si8
Molecular Weight1550.93 g/mol
Exact Mass1549.10
IUPAC Name[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCCCCCCCCC/C=C/CCCCCCCCCO[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C80H172O12Si8/c1-73(2,3)93(25,26)83-61-63-65(87-95(29,30)75(7,8)9)67(89-97(33,34)77(13,14)15)69(91-99(37,38)79(19,20)21)71(85-63)81-59-57-55-53-51-49-47-45-43-41-42-44-46-48-50-52-54-56-58-60-82-72-70(92-100(39,40)80(22,23)24)68(90-98(35,36)78(16,17)18)66(88-96(31,32)76(10,11)12)64(86-72)62-84-94(27,28)74(4,5)6/h41-42,63-72H,43-62H2,1-40H3/b42-41+/t63-,64-,65-,66-,67+,68+,69-,70-,71-,72-/m1/s1
InChIKeyLLPJXDLOFLAXQL-XXXBZZDUSA-N
XLogP25.65
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds40
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001550.93
LogP ≤ 525.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(5S,6S)-5-(methoxymethoxy)-2,2-dimethyl-3-tridecyl-5,6-dihydrooxasilin-6-yl]methoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 134846021
[(2S,3S,4R,5S,6S,8R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-ethenyl-1,7-dioxaspiro[5.5]undecan-5-yl]oxy-tert-butyl-dimethylsilane
CID 134962518
[(2S,3S,4R,5S,6R,8S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-ethenyl-1,7-dioxaspiro[5.5]undecan-5-yl]oxy-tert-butyl-dimethylsilane
CID 176426932
triethyl-[(2S,3R,4R,6S)-6-methoxy-3-[(Z)-oct-2-enyl]-2-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 21593466
tert-butyl-dimethyl-[(1R)-5-methyl-6-[(2S,5R)-3,4,5-tributoxy-6-methyloxan-2-yl]oxycyclohex-3-en-1-yl]oxysilane
CID 68223654
(2R,3R,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol
CID 68949858
(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-3-[(Z)-octadec-11-enoxy]oxane-2,5-diol
CID 68951351
[(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate
CID 87633615
(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-3-octadec-11-enoxyoxane-2,5-diol
CID 91092532
tert-butyl-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane
CID 155725398
2-[(2S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-1-methoxyethanol
CID 173872691
tert-butyl-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hex-5-en-2-yloxy-6-methyloxan-3-yl]oxy-dimethylsilane
CID 173899767

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 10931333) is [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCCCCCCCCC/C=C/CCCCCCCCCO[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is LLPJXDLOFLAXQL-XXXBZZDUSA-N. The full InChI is InChI=1S/C80H172O12Si8/c1-73(2,3)93(25,26)83-61-63-65(87-95(29,30)75(7,8)9)67(89-97(33,34)77(13,14)15)69(91-99(37,38)79(19,20)21)71(85-63)81-59-57-55-53-51-49-47-45-43-41-42-44-46-48-50-52-54-56-58-60-82-72-70(92-100(39,40)80(22,23)24)68(90-98(35,36)78(16,17)18)66(88-96(31,32)76(10,11)12)64(86-72)62-84-94(27,28)74(4,5)6/h41-42,63-72H,43-62H2,1-40H3/b42-41+/t63-,64-,65-,66-,67+,68+,69-,70-,71-,72-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 1550.93 g/mol, XLogP of 25.65, 40 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-20-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyicos-10-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10931333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).