[(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

C36H76O6Si4 — CID 134962518

IUPAC[(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
SMILESC=C[C@H]1CCC[C@@]2(O[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)O1
InChIInChI=1S/C36H76O6Si4/c1-22-27-24-23-25-36(38-27)31(42-46(20,21)35(11,12)13)30(41-45(18,19)34(8,9)10)29(40-44(16,17)33(5,6)7)28(39-36)26-37-43(14,15)32(2,3)4/h22,27-31H,1,23-26H2,2-21H3/t27-,28-,29-,30+,31-,36-/m0/s1
InChIKeyATWNSTTVCPDMBE-IUOVOKEESA-N
MW717.34 g/mol
LogP11.03
Rot. Bonds10

About [(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

[(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 (PubChem CID 134962518) has the molecular formula C36H76O6Si4 and a molecular weight of 717.34 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID134962518
Molecular FormulaC36H76O6Si4
Molecular Weight717.34 g/mol
Exact Mass716.47
IUPAC Name[(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
SMILESC=C[C@H]1CCC[C@@]2(O[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)O1
InChIInChI=1S/C36H76O6Si4/c1-22-27-24-23-25-36(38-27)31(42-46(20,21)35(11,12)13)30(41-45(18,19)34(8,9)10)29(40-44(16,17)33(5,6)7)28(39-36)26-37-43(14,15)32(2,3)4/h22,27-31H,1,23-26H2,2-21H3/t27-,28-,29-,30+,31-,36-/m0/s1
InChIKeyATWNSTTVCPDMBE-IUOVOKEESA-N
XLogP11.03
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.34
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(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 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
tert-butyl 6-[(3S,4R,5S,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]hex-1-en-3-yl carbonate
CID 176426931
[(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
[(E,3S)-3-[(2S,3R,4S,4aS,6S,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane
CID 58077755
3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane
CID 58961497
[(3R)-1-[[(4aR,6S,7R,8S,8aR)-8-decoxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]tetradecan-3-yl]oxy-tert-butyl-dimethylsilane
CID 68952526
[(3S)-3-[(2S,3R,4S,4aS,6S,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane
CID 123290198
[(2S,4R,4aR,6R,8aR)-6-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methylidene-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10649437
[(2R,3R,4S,5R,6R)-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 10677524
[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 10724807
TBDMS(-2)[TBDMS(-3)][TBDMS(-4)][TBDMS(-6)]Glc(b)-O-allyl
CID 10794631
[(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

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C=C[C@H]1CCC[C@@]2(O[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)O1.
What is the InChIKey of [(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?
The InChIKey is ATWNSTTVCPDMBE-IUOVOKEESA-N. The full InChI is InChI=1S/C36H76O6Si4/c1-22-27-24-23-25-36(38-27)31(42-46(20,21)35(11,12)13)30(41-45(18,19)34(8,9)10)29(40-44(16,17)33(5,6)7)28(39-36)26-37-43(14,15)32(2,3)4/h22,27-31H,1,23-26H2,2-21H3/t27-,28-,29-,30+,31-,36-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 717.34 g/mol, XLogP of 11.03, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 134962518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).