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

C12H22O3Si — CID 164674456

IUPAC(2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one
SMILESC[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C12H22O3Si/c1-9-10(13)7-8-11(14-9)15-16(5,6)12(2,3)4/h7-9,11H,1-6H3/t9-,11-/m1/s1
InChIKeyHCWSDQFLYKIQPZ-MWLCHTKSSA-N
MW242.39 g/mol
LogP2.88
Rot. Bonds2

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

(2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one (PubChem CID 164674456) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is (2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name(2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one
PubChem CID164674456
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name(2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one
SMILESC[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C12H22O3Si/c1-9-10(13)7-8-11(14-9)15-16(5,6)12(2,3)4/h7-9,11H,1-6H3/t9-,11-/m1/s1
InChIKeyHCWSDQFLYKIQPZ-MWLCHTKSSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate
CID 11439780
2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one
CID 134936219
3-[(E)-prop-1-enyl]-2-(2-trimethylsilylethoxy)-2H-pyran-5-one
CID 21681397
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one
CID 102368689
(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 11097256
6-Ethoxy-2-methyl-2H-pyran-3(6H)-one
CID 14547108
6-methyl-2-(2-methylpropoxy)-2H-pyran-5-one
CID 21397288
2-Methyl-6-[(propan-2-yl)oxy]-2H-pyran-3(6H)-one
CID 21397309
2-butoxy-6-methyl-2H-pyran-5-one
CID 21397324
5-(Trimethylsilylmethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one
CID 68178325

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one?
The IUPAC name of (2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one (CID 164674456) is (2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one.
What is the SMILES notation for (2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one?
The canonical SMILES for (2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one is C[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)C=CC1=O.
What is the InChIKey of (2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one?
The InChIKey is HCWSDQFLYKIQPZ-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-9-10(13)7-8-11(14-9)15-16(5,6)12(2,3)4/h7-9,11H,1-6H3/t9-,11-/m1/s1.
What are the key properties of (2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one?
(2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one has a molecular weight of 242.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 164674456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).