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

C15H28O4Si — CID 11077456

IUPAC(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one
SMILESCC(C)O[C@@H]1C=CC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O4Si/c1-11(2)18-14-9-8-12(16)13(19-14)10-17-20(6,7)15(3,4)5/h8-9,11,13-14H,10H2,1-7H3/t13-,14+/m1/s1
InChIKeyBUALPAWZZQMPPJ-KGLIPLIRSA-N
MW300.47 g/mol
LogP3.28
Rot. Bonds5

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

(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one (PubChem CID 11077456) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one
PubChem CID11077456
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one
SMILESCC(C)O[C@@H]1C=CC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O4Si/c1-11(2)18-14-9-8-12(16)13(19-14)10-17-20(6,7)15(3,4)5/h8-9,11,13-14H,10H2,1-7H3/t13-,14+/m1/s1
InChIKeyBUALPAWZZQMPPJ-KGLIPLIRSA-N
XLogP3.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(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 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-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
[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 54582354
[(2R,6S)-3-Oxo-6-(propan-2-yloxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 54584293
6-(tert-butyldimethylsilyloxy)-2H-pyran-3(6H)-one
CID 70981364
(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 11368925

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one?
The IUPAC name of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one (CID 11077456) is (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one.
What is the SMILES notation for (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one?
The canonical SMILES for (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one is CC(C)O[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-propan-2-yloxy-2H-pyran-5-one?
The InChIKey is BUALPAWZZQMPPJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-11(2)18-14-9-8-12(16)13(19-14)10-17-20(6,7)15(3,4)5/h8-9,11,13-14H,10H2,1-7H3/t13-,14+/m1/s1.
What are the key properties of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one?
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one has a molecular weight of 300.47 g/mol, XLogP of 3.28, 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-propan-2-yloxy-2H-pyran-5-one is sourced from PubChem (CID 11077456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).