[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate

C17H30O5Si — CID 10759755

IUPAC[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@H]1C=CC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H30O5Si/c1-16(2,3)15(19)22-14-10-9-12(18)13(21-14)11-20-23(7,8)17(4,5)6/h9-10,13-14H,11H2,1-8H3/t13-,14-/m0/s1
InChIKeyUVTRIAYQUPIASJ-KBPBESRZSA-N
MW342.51 g/mol
LogP3.45
Rot. Bonds4

About [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate

[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate (PubChem CID 10759755) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate
PubChem CID10759755
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@H]1C=CC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H30O5Si/c1-16(2,3)15(19)22-14-10-9-12(18)13(21-14)11-20-23(7,8)17(4,5)6/h9-10,13-14H,11H2,1-8H3/t13-,14-/m0/s1
InChIKeyUVTRIAYQUPIASJ-KBPBESRZSA-N
XLogP3.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,6R)-5-oxo-2-pentoxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305269
[(2S,6R)-2-hexoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305270
[(2S,6R)-2-isopropoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 11402978
[(2S,6R)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53249072
[(2S,6R)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53249073
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-isopentyloxy-2H-pyran-5-one
CID 53304832
[(2S,6R)-2-butoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305266
[(2S,6R)-2-isobutoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305267
[(2R,6R)-2-tert-butoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305268
[(2S,6R)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305272
[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53305412
[(2R,6R)-2-tert-butoxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53305415

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate (CID 10759755) is [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[C@H]1C=CC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate?
The InChIKey is UVTRIAYQUPIASJ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H30O5Si/c1-16(2,3)15(19)22-14-10-9-12(18)13(21-14)11-20-23(7,8)17(4,5)6/h9-10,13-14H,11H2,1-8H3/t13-,14-/m0/s1.
What are the key properties of [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate?
[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate has a molecular weight of 342.51 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10759755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).