[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane

C36H78O4Si3Sn — CID 14559079

IUPAC[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C24H51O4Si3.3C4H9.Sn/c1-22(2,3)29(10,11)26-18-20-21(28-31(14,15)24(7,8)9)19(16-17-25-20)27-30(12,13)23(4,5)6;3*1-3-4-2;/h16,19-21H,18H2,1-15H3;3*1,3-4H2,2H3;/t19-,20-,21+;;;;/m1..../s1
InChIKeyQJSUEEYJYMWKLV-QWESSATDSA-N
MW777.98 g/mol
LogP12.46
Rot. Bonds17

About [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 14559079) has the molecular formula C36H78O4Si3Sn and a molecular weight of 777.98 g/mol. Its IUPAC name is [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID14559079
Molecular FormulaC36H78O4Si3Sn
Molecular Weight777.98 g/mol
Exact Mass778.42
IUPAC Name[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C24H51O4Si3.3C4H9.Sn/c1-22(2,3)29(10,11)26-18-20-21(28-31(14,15)24(7,8)9)19(16-17-25-20)27-30(12,13)23(4,5)6;3*1-3-4-2;/h16,19-21H,18H2,1-15H3;3*1,3-4H2,2H3;/t19-,20-,21+;;;;/m1..../s1
InChIKeyQJSUEEYJYMWKLV-QWESSATDSA-N
XLogP12.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.98
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tri-O-(tert-butyldimethylsilyl)-D-glucal
CID 10648718
1,5-Anhydro-2-deoxy-3,4,6-tris-O-(triisopropylsilyl)-D-arabino-hex-1-enitol
CID 11181065
[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane
CID 134940111
tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane
CID 10909148
triethyl-[[(2R,3R,4R)-3-triethylsilyloxy-2-(triethylsilyloxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 10863880
[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 10961214
[(4aR,8R,8aR)-2,2-ditert-butyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 10941616
lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane
CID 11079036
[(4aR,8R,8aR)-2,2-ditert-butyl-6-iodo-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 11124630
tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 11164225
tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 11169717
(((2R,3R,4R)-6-iodo-2-(((Triisopropylsilyl)oxy)methyl)-3,4-dihydro-2H-pyran-3,4-diyl)bis(oxy))bis(triisopropylsilane)
CID 11787507

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 14559079) is [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is CCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is QJSUEEYJYMWKLV-QWESSATDSA-N. The full InChI is InChI=1S/C24H51O4Si3.3C4H9.Sn/c1-22(2,3)29(10,11)26-18-20-21(28-31(14,15)24(7,8)9)19(16-17-25-20)27-30(12,13)23(4,5)6;3*1-3-4-2;/h16,19-21H,18H2,1-15H3;3*1,3-4H2,2H3;/t19-,20-,21+;;;;/m1..../s1.
What are the key properties of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 777.98 g/mol, XLogP of 12.46, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 14559079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).