2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one

C13H24O3Si — CID 134936219

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one
SMILESCCC1OC(O[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C13H24O3Si/c1-7-11-10(14)8-9-12(15-11)16-17(5,6)13(2,3)4/h8-9,11-12H,7H2,1-6H3
InChIKeyVQQDDVNGKHBLSE-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.27
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one

2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one (PubChem CID 134936219) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one
PubChem CID134936219
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one
SMILESCCC1OC(O[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C13H24O3Si/c1-7-11-10(14)8-9-12(15-11)16-17(5,6)13(2,3)4/h8-9,11-12H,7H2,1-6H3
InChIKeyVQQDDVNGKHBLSE-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-
CID 332602
6-(tert-butyldimethylsilyloxy)-2H-pyran-3(6H)-one
CID 70981364
(2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one
CID 164674456
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one
CID 102368689
6-Ethoxy-2-(propan-2-yl)-2H-pyran-3(6H)-one
CID 13041085
2-ethoxy-6-ethyl-2H-pyran-5-one
CID 20295216
6-ethyl-2-propan-2-yloxy-2H-pyran-5-one
CID 21397315
6-Butoxy-2-ethyl-2H-pyran-3(6H)-one
CID 21397331
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one
CID 11077456
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-2H-pyran-5-one
CID 13614240
(2S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-hydroxypyran-3-one
CID 44195305
(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one
CID 50993172

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one (CID 134936219) is 2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one is CCC1OC(O[Si](C)(C)C(C)(C)C)C=CC1=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one?
The InChIKey is VQQDDVNGKHBLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-11-10(14)8-9-12(15-11)16-17(5,6)13(2,3)4/h8-9,11-12H,7H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one?
2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one has a molecular weight of 256.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one is sourced from PubChem (CID 134936219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).