methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate

C15H28O6Si — CID 174042099

IUPACmethyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CC(=O)C(O[Si](C)(C)C(C)(C)C)[C@@H](CO)O1
InChIInChI=1S/C15H28O6Si/c1-15(2,3)22(5,6)21-14-11(17)7-10(8-13(18)19-4)20-12(14)9-16/h10,12,14,16H,7-9H2,1-6H3/t10-,12+,14?/m0/s1
InChIKeyXDBNKYIVSHWFBC-QXQDIAAESA-N
MW332.47 g/mol
LogP1.66
Rot. Bonds5

About methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate

methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate (PubChem CID 174042099) has the molecular formula C15H28O6Si and a molecular weight of 332.47 g/mol. Its IUPAC name is methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate
PubChem CID174042099
Molecular FormulaC15H28O6Si
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Namemethyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CC(=O)C(O[Si](C)(C)C(C)(C)C)[C@@H](CO)O1
InChIInChI=1S/C15H28O6Si/c1-15(2,3)22(5,6)21-14-11(17)7-10(8-13(18)19-4)20-12(14)9-16/h10,12,14,16H,7-9H2,1-6H3/t10-,12+,14?/m0/s1
InChIKeyXDBNKYIVSHWFBC-QXQDIAAESA-N
XLogP1.66
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate (CID 174042099) is methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate is COC(=O)C[C@@H]1CC(=O)C(O[Si](C)(C)C(C)(C)C)[C@@H](CO)O1.
What is the InChIKey of methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate?
The InChIKey is XDBNKYIVSHWFBC-QXQDIAAESA-N. The full InChI is InChI=1S/C15H28O6Si/c1-15(2,3)22(5,6)21-14-11(17)7-10(8-13(18)19-4)20-12(14)9-16/h10,12,14,16H,7-9H2,1-6H3/t10-,12+,14?/m0/s1.
What are the key properties of methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate?
methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate has a molecular weight of 332.47 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate is sourced from PubChem (CID 174042099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).