(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one

C15H24O4Si — CID 10685382

IUPAC(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one
SMILESC#CCO[C@@H]1C=CC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H24O4Si/c1-7-10-17-14-9-8-12(16)13(19-14)11-18-20(5,6)15(2,3)4/h1,8-9,13-14H,10-11H2,2-6H3/t13-,14+/m1/s1
InChIKeyGTVHBBNPCNQRFT-KGLIPLIRSA-N
MW296.44 g/mol
LogP2.51
Rot. Bonds5

About (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one

(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one (PubChem CID 10685382) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one
PubChem CID10685382
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Name(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one
SMILESC#CCO[C@@H]1C=CC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H24O4Si/c1-7-10-17-14-9-8-12(16)13(19-14)11-18-20(5,6)15(2,3)4/h1,8-9,13-14H,10-11H2,2-6H3/t13-,14+/m1/s1
InChIKeyGTVHBBNPCNQRFT-KGLIPLIRSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-isopentyloxy-2H-pyran-5-one
CID 53304832
(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 11368925
tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate
CID 11439780
(2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one
CID 164674456
(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 11097256
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 72819931
(2R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 10515388
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 10539160
[(2S,6R)-5-oxo-2-prop-2-ynoxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 10754213
[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate
CID 10759755
[(2R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate
CID 10807268
(2R,6S)-2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-yn-3-yl]oxy-6-methyl-2H-pyran-5-one
CID 11024242

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one?
The IUPAC name of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one (CID 10685382) is (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one.
What is the SMILES notation for (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one?
The canonical SMILES for (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one is C#CCO[C@@H]1C=CC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one?
The InChIKey is GTVHBBNPCNQRFT-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-7-10-17-14-9-8-12(16)13(19-14)11-18-20(5,6)15(2,3)4/h1,8-9,13-14H,10-11H2,2-6H3/t13-,14+/m1/s1.
What are the key properties of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one?
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one has a molecular weight of 296.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynoxy-2H-pyran-5-one is sourced from PubChem (CID 10685382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).