[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate

C18H32O6Si — CID 71681152

IUPAC[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate
SMILESCC(=O)OCC1=C[C@@H](OC(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C18H32O6Si/c1-12(2)23-16-9-14(10-21-13(3)19)17(20)15(24-16)11-22-25(7,8)18(4,5)6/h9,12,15-16H,10-11H2,1-8H3/t15-,16+/m1/s1
InChIKeyGUQQCESZALXEMH-CVEARBPZSA-N
MW372.53 g/mol
LogP3.22
Rot. Bonds7

About [(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate

[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate (PubChem CID 71681152) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is [(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate
PubChem CID71681152
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Name[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate
SMILESCC(=O)OCC1=C[C@@H](OC(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C18H32O6Si/c1-12(2)23-16-9-14(10-21-13(3)19)17(20)15(24-16)11-22-25(7,8)18(4,5)6/h9,12,15-16H,10-11H2,1-8H3/t15-,16+/m1/s1
InChIKeyGUQQCESZALXEMH-CVEARBPZSA-N
XLogP3.22
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.22
H-Bond Donors ≤ 50
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 [(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate?
The IUPAC name of [(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate (CID 71681152) is [(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate.
What is the SMILES notation for [(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate?
The canonical SMILES for [(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate is CC(=O)OCC1=C[C@@H](OC(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of [(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate?
The InChIKey is GUQQCESZALXEMH-CVEARBPZSA-N. The full InChI is InChI=1S/C18H32O6Si/c1-12(2)23-16-9-14(10-21-13(3)19)17(20)15(24-16)11-22-25(7,8)18(4,5)6/h9,12,15-16H,10-11H2,1-8H3/t15-,16+/m1/s1.
What are the key properties of [(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate?
[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate has a molecular weight of 372.53 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate is sourced from PubChem (CID 71681152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).