[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate

C14H26O5Si — CID 22859289

IUPAC[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=C[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O5Si/c1-10(15)18-9-12-13(11(16)7-8-17-12)19-20(5,6)14(2,3)4/h7-8,11-13,16H,9H2,1-6H3/t11-,12-,13+/m1/s1
InChIKeyWLMSSAUXPAPLIX-UPJWGTAASA-N
MW302.44 g/mol
LogP2.21
Rot. Bonds4

About [(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 22859289) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is [(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID22859289
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=C[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O5Si/c1-10(15)18-9-12-13(11(16)7-8-17-12)19-20(5,6)14(2,3)4/h7-8,11-13,16H,9H2,1-6H3/t11-,12-,13+/m1/s1
InChIKeyWLMSSAUXPAPLIX-UPJWGTAASA-N
XLogP2.21
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate (CID 22859289) is [(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OC[C@H]1OC=C[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is WLMSSAUXPAPLIX-UPJWGTAASA-N. The full InChI is InChI=1S/C14H26O5Si/c1-10(15)18-9-12-13(11(16)7-8-17-12)19-20(5,6)14(2,3)4/h7-8,11-13,16H,9H2,1-6H3/t11-,12-,13+/m1/s1.
What are the key properties of [(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 302.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 22859289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).