(4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one

C25H54O5Si3 — CID 11226143

IUPAC(4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O5Si3/c1-23(2,3)31(10,11)27-17-16-19-22(30-33(14,15)25(7,8)9)20(18-21(26)28-19)29-32(12,13)24(4,5)6/h19-20,22H,16-18H2,1-15H3/t19-,20+,22-/m0/s1
InChIKeySKSSBDDJQLSOKU-VWPQPMDRSA-N
MW518.96 g/mol
LogP7.49
Rot. Bonds8

About (4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one

(4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one (PubChem CID 11226143) has the molecular formula C25H54O5Si3 and a molecular weight of 518.96 g/mol. Its IUPAC name is (4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one.

Molecular Properties

Compound Name(4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one
PubChem CID11226143
Molecular FormulaC25H54O5Si3
Molecular Weight518.96 g/mol
Exact Mass518.33
IUPAC Name(4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O5Si3/c1-23(2,3)31(10,11)27-17-16-19-22(30-33(14,15)25(7,8)9)20(18-21(26)28-19)29-32(12,13)24(4,5)6/h19-20,22H,16-18H2,1-15H3/t19-,20+,22-/m0/s1
InChIKeySKSSBDDJQLSOKU-VWPQPMDRSA-N
XLogP7.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.96
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
propan-2-yl (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(4S,6R)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxan-4-yl]propanoate
CID 134990997
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
((2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxotetrahydro-2H-pyran-2-yl)methyl acetate
CID 16113281
methyl 2-[(3S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-oxo-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-6-yl]acetate
CID 24879811
methyl 2-[(2S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetate
CID 134959796
(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one
CID 140966522
(4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one
CID 11236491
methyl 2-[(2S,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-formyloxan-2-yl]acetate
CID 11316799
(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11490601
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal
CID 11784419

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one?
The IUPAC name of (4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one (CID 11226143) is (4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one.
What is the SMILES notation for (4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one?
The canonical SMILES for (4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one is CC(C)(C)[Si](C)(C)OCC[C@@H]1OC(=O)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 (4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one?
The InChIKey is SKSSBDDJQLSOKU-VWPQPMDRSA-N. The full InChI is InChI=1S/C25H54O5Si3/c1-23(2,3)31(10,11)27-17-16-19-22(30-33(14,15)25(7,8)9)20(18-21(26)28-19)29-32(12,13)24(4,5)6/h19-20,22H,16-18H2,1-15H3/t19-,20+,22-/m0/s1.
What are the key properties of (4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one?
(4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one has a molecular weight of 518.96 g/mol, XLogP of 7.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one is sourced from PubChem (CID 11226143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).