[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate

C17H32O5Si — CID 11624354

IUPAC[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate
SMILESCC(=O)OC1C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](CC=O)O1
InChIInChI=1S/C17H32O5Si/c1-12(19)20-15-11-14(22-23(7,8)16(2,3)4)17(5,6)13(21-15)9-10-18/h10,13-15H,9,11H2,1-8H3/t13-,14-,15?/m1/s1
InChIKeyXHYICHJUBUUIRX-GRKKQISMSA-N
MW344.52 g/mol
LogP3.67
Rot. Bonds5

About [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate

[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate (PubChem CID 11624354) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate.

Molecular Properties

Compound Name[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate
PubChem CID11624354
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Name[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate
SMILESCC(=O)OC1C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](CC=O)O1
InChIInChI=1S/C17H32O5Si/c1-12(19)20-15-11-14(22-23(7,8)16(2,3)4)17(5,6)13(21-15)9-10-18/h10,13-15H,9,11H2,1-8H3/t13-,14-,15?/m1/s1
InChIKeyXHYICHJUBUUIRX-GRKKQISMSA-N
XLogP3.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate?
The IUPAC name of [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate (CID 11624354) is [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate.
What is the SMILES notation for [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate?
The canonical SMILES for [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate is CC(=O)OC1C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](CC=O)O1.
What is the InChIKey of [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate?
The InChIKey is XHYICHJUBUUIRX-GRKKQISMSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-12(19)20-15-11-14(22-23(7,8)16(2,3)4)17(5,6)13(21-15)9-10-18/h10,13-15H,9,11H2,1-8H3/t13-,14-,15?/m1/s1.
What are the key properties of [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate?
[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate has a molecular weight of 344.52 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate is sourced from PubChem (CID 11624354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).