(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione

C11H20O5Si — CID 123869854

IUPAC(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione
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/h7-8,12H,6H2,1-5H3/t7-,8?/m0/s1
InChIKeySIVJOAUXLKMICG-JAMMHHFISA-N
MW260.36 g/mol
LogP0.86
Rot. Bonds3

About (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione (PubChem CID 123869854) has the molecular formula C11H20O5Si and a molecular weight of 260.36 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione
PubChem CID123869854
Molecular FormulaC11H20O5Si
Molecular Weight260.36 g/mol
Exact Mass260.11
IUPAC Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione
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/h7-8,12H,6H2,1-5H3/t7-,8?/m0/s1
InChIKeySIVJOAUXLKMICG-JAMMHHFISA-N
XLogP0.86
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolane-2-carboxylic acid
CID 174055708
(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid
CID 174055803
3-[Tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid
CID 175959005
(6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one
CID 54177901
(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-one
CID 11746945
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyloxolan-2-one
CID 135014164
5-(1,2-Dihydroxyethyl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione
CID 9838956
5-(1,2-Dihydroxyethyl)-4-(trimethylsilylmethoxy)oxolane-2,3-dione
CID 9881681
5-(1,2-Dihydroxyethyl)-3-(3-trimethylsilylpropoxy)oxolane-2,4-dione
CID 9947957
(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-one
CID 15633272
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one
CID 15677666
(3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one
CID 53732226

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione?
The IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione (CID 123869854) is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione.
What is the SMILES notation for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione?
The canonical SMILES for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione is CC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)C(=O)C1O.
What is the InChIKey of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione?
The InChIKey is SIVJOAUXLKMICG-JAMMHHFISA-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/h7-8,12H,6H2,1-5H3/t7-,8?/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione?
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione has a molecular weight of 260.36 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolane-2,3-dione is sourced from PubChem (CID 123869854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).