(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one

C11H20O5Si — CID 140657990

IUPAC(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C11H20O5Si/c1-11(2,3)17(4,5)15-6-7-8(12)9(13)10(14)16-7/h7,12-13H,6H2,1-5H3/t7-/m0/s1
InChIKeyXCEGRIFLIBZXJF-ZETCQYMHSA-N
MW260.36 g/mol
LogP2.26
Rot. Bonds3

About (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 140657990) has the molecular formula C11H20O5Si and a molecular weight of 260.36 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID140657990
Molecular FormulaC11H20O5Si
Molecular Weight260.36 g/mol
Exact Mass260.11
IUPAC Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C11H20O5Si/c1-11(2,3)17(4,5)15-6-7-8(12)9(13)10(14)16-7/h7,12-13H,6H2,1-5H3/t7-/m0/s1
InChIKeyXCEGRIFLIBZXJF-ZETCQYMHSA-N
XLogP2.26
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(hydroxymethyl)-4-(2-(trimethylsilyl)ethoxy)furan-2(5H)-one
CID 86063697
2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one
CID 15511275
(2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2H-furan-5-one
CID 22804976
2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one
CID 23497841
2-(1,2-dihydroxyethyl)-4-hydroxy-3-(3-trimethylsilylpropoxy)-2H-furan-5-one
CID 23497843
2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one
CID 23497849
2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one
CID 54715947
2-(1,2-dihydroxyethyl)-3-hydroxy-4-(3-trimethylsilylpropoxy)-2H-furan-5-one
CID 54715949
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one
CID 58761097
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-trimethylsilyloxy-2H-furan-5-one
CID 69465440
(5R)-3-hydroxy-5-[(1R)-2-hydroxy-1-trimethylsilyl-1-trimethylsilyloxyethyl]-5-trimethylsilyl-4-trimethylsilyloxyfuran-2-one
CID 69714339
(2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one
CID 70622691

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one (CID 140657990) is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one is CC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)C(O)=C1O.
What is the InChIKey of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is XCEGRIFLIBZXJF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H20O5Si/c1-11(2,3)17(4,5)15-6-7-8(12)9(13)10(14)16-7/h7,12-13H,6H2,1-5H3/t7-/m0/s1.
What are the key properties of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one?
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 260.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 140657990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).