3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione

C24H46O7Si2 — CID 59917217

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione
SMILESCC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1C1C(=O)OC(=O)C1C
InChIInChI=1S/C24H46O7Si2/c1-14-17(22(27)30-21(14)26)18-15(2)29-16(13-28-32(9,10)23(3,4)5)19(25)20(18)31-33(11,12)24(6,7)8/h14-20,25H,13H2,1-12H3
InChIKeyZFBVLIJPEIVURS-UHFFFAOYSA-N
MW502.80 g/mol
LogP4.50
Rot. Bonds6

About 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione

3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione (PubChem CID 59917217) has the molecular formula C24H46O7Si2 and a molecular weight of 502.80 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione
PubChem CID59917217
Molecular FormulaC24H46O7Si2
Molecular Weight502.80 g/mol
Exact Mass502.28
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione
SMILESCC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1C1C(=O)OC(=O)C1C
InChIInChI=1S/C24H46O7Si2/c1-14-17(22(27)30-21(14)26)18-15(2)29-16(13-28-32(9,10)23(3,4)5)19(25)20(18)31-33(11,12)24(6,7)8/h14-20,25H,13H2,1-12H3
InChIKeyZFBVLIJPEIVURS-UHFFFAOYSA-N
XLogP4.50
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.80
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,4R,5S,6R)-5-[ditert-butyl(fluoro)silyl]oxy-4-(hydroxymethyl)-3,7-dioxatricyclo[4.3.0.02,9]nonan-8-one
CID 101242534
(5S)-5-[(2R,5R,6S)-5-ethyl-6-methyl-5-triethylsilyloxyoxan-2-yl]-5-methyloxolan-2-one
CID 11013732
(1R,3S,5R,7R,18S)-7-[tert-butyl(dimethyl)silyl]oxy-13-[(1R)-1,2-dihydroxyethyl]-3-methoxy-18-methyl-12,19,20-trioxatricyclo[13.3.1.15,9]icosan-11-one
CID 134841387
dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate
CID 135020847
(1R,2R,4R,5S,6R,9R)-5-[ditert-butyl(fluoro)silyl]oxy-4-(hydroxymethyl)-3,7-dioxatricyclo[4.3.0.02,9]nonan-8-one
CID 11382416
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S)-2,3-dihydroxypropyl]-3,5-dimethyloxan-2-one
CID 11290514
3-[5-[[2,5-Dioxo-4-(1-trimethylsilylbutan-2-yl)oxolan-3-yl]methyl]-2,6-dihydroperoxy-3-methyl-6-(4-methyl-2-oxooxan-4-yl)hexoxy]-3-oxopropanoic acid
CID 20580313
2-[1-[4-[2-Methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
CID 20822614
5-O-tert-butyl 1-O-methyl 4-[[2,5-dioxo-4-[2-[2-(2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carbonyl)oxyethoxy]propyl]oxolan-3-yl]methyl]-2,2-dimethylpentanedioate
CID 20822633
ethyl (1R,2S,3S,4S,6R,7S)-9,9-ditert-butyl-6-(hydroxymethyl)-5,8,10-trioxa-9-silatricyclo[5.3.0.02,4]decane-3-carboxylate
CID 57954318
3-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione
CID 59917216
[4-[Tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate
CID 59917219

Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione (CID 59917217) is 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione is CC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1C1C(=O)OC(=O)C1C.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione?
The InChIKey is ZFBVLIJPEIVURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O7Si2/c1-14-17(22(27)30-21(14)26)18-15(2)29-16(13-28-32(9,10)23(3,4)5)19(25)20(18)31-33(11,12)24(6,7)8/h14-20,25H,13H2,1-12H3.
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione?
3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione has a molecular weight of 502.80 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione is sourced from PubChem (CID 59917217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).