triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane

C48H104O9Si6 — CID 162404219

IUPACtriethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane
SMILESCC[Si](CC)(CC)OCC1O[C@@H](O[C@@H]2C(CO[Si](CC)(CC)CC)OC=C[C@H]2O[Si](CC)(CC)CC)C(O[Si](CC)(CC)CC)C(O[Si](CC)(CC)CC)[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C48H104O9Si6/c1-19-58(20-2,21-3)50-39-42-44(41(37-38-49-42)54-60(25-7,26-8)27-9)53-48-47(57-63(34-16,35-17)36-18)46(56-62(31-13,32-14)33-15)45(55-61(28-10,29-11)30-12)43(52-48)40-51-59(22-4,23-5)24-6/h37-38,41-48H,19-36,39-40H2,1-18H3/t41-,42?,43?,44+,45+,46?,47?,48+/m1/s1
InChIKeyQRYFDKOWNPRWKP-DVGIQGCVSA-N
MW993.87 g/mol
LogP14.61
Rot. Bonds34

About triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane

triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane (PubChem CID 162404219) has the molecular formula C48H104O9Si6 and a molecular weight of 993.87 g/mol. Its IUPAC name is triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane.

Molecular Properties

Compound Nametriethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane
PubChem CID162404219
Molecular FormulaC48H104O9Si6
Molecular Weight993.87 g/mol
Exact Mass992.63
IUPAC Nametriethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane
SMILESCC[Si](CC)(CC)OCC1O[C@@H](O[C@@H]2C(CO[Si](CC)(CC)CC)OC=C[C@H]2O[Si](CC)(CC)CC)C(O[Si](CC)(CC)CC)C(O[Si](CC)(CC)CC)[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C48H104O9Si6/c1-19-58(20-2,21-3)50-39-42-44(41(37-38-49-42)54-60(25-7,26-8)27-9)53-48-47(57-63(34-16,35-17)36-18)46(56-62(31-13,32-14)33-15)45(55-61(28-10,29-11)30-12)43(52-48)40-51-59(22-4,23-5)24-6/h37-38,41-48H,19-36,39-40H2,1-18H3/t41-,42?,43?,44+,45+,46?,47?,48+/m1/s1
InChIKeyQRYFDKOWNPRWKP-DVGIQGCVSA-N
XLogP14.61
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds34
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.87
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane with MolForge

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Related Compounds

[(2S,3S,4S,5S)-2-methoxy-6-methylidene-3,5-bis(trimethylsilyloxy)oxan-4-yl]oxy-trimethylsilane
CID 11269385
triethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 67763208
[4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 91506166
[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pent-1-enoxyoxan-3-yl] acetate
CID 140146471
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pent-1-enoxyoxan-3-yl] acetate
CID 140146474
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
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
tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane
CID 174031441
tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane
CID 175257343
tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-hex-5-en-2-yloxy-6-methyloxan-3-yl]oxy-dimethylsilane
CID 175257344
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol
CID 4550889
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl] acetate
CID 4550892

Frequently Asked Questions

What is the IUPAC name of triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
The IUPAC name of triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane (CID 162404219) is triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane.
What is the SMILES notation for triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
The canonical SMILES for triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane is CC[Si](CC)(CC)OCC1O[C@@H](O[C@@H]2C(CO[Si](CC)(CC)CC)OC=C[C@H]2O[Si](CC)(CC)CC)C(O[Si](CC)(CC)CC)C(O[Si](CC)(CC)CC)[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
The InChIKey is QRYFDKOWNPRWKP-DVGIQGCVSA-N. The full InChI is InChI=1S/C48H104O9Si6/c1-19-58(20-2,21-3)50-39-42-44(41(37-38-49-42)54-60(25-7,26-8)27-9)53-48-47(57-63(34-16,35-17)36-18)46(56-62(31-13,32-14)33-15)45(55-61(28-10,29-11)30-12)43(52-48)40-51-59(22-4,23-5)24-6/h37-38,41-48H,19-36,39-40H2,1-18H3/t41-,42?,43?,44+,45+,46?,47?,48+/m1/s1.
What are the key properties of triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane has a molecular weight of 993.87 g/mol, XLogP of 14.61, 34 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane is sourced from PubChem (CID 162404219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).