2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one

C12H22O4Si — CID 5207840

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCC1OC=CC(=O)C1O
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h6-7,10-11,14H,8H2,1-5H3
InChIKeyBBVKFBLMSSGFOY-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.85
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one (PubChem CID 5207840) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one
PubChem CID5207840
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCC1OC=CC(=O)C1O
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h6-7,10-11,14H,8H2,1-5H3
InChIKeyBBVKFBLMSSGFOY-UHFFFAOYSA-N
XLogP1.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-(((tert-Butyldimethylsilyl)oxy)methyl)-3-hydroxy-2,3-dihydro-4H-pyran-4-one, AldrichCPR
CID 6612648
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 24766658
[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate
CID 9972032
(4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
CID 11471643
(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 13070166
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 134922321
(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one
CID 335649
(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 335650
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 173794843
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 5036106
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 10334992
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-4-one
CID 10466925

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one (CID 5207840) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one is CC(C)(C)[Si](C)(C)OCC1OC=CC(=O)C1O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one?
The InChIKey is BBVKFBLMSSGFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h6-7,10-11,14H,8H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one has a molecular weight of 258.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one is sourced from PubChem (CID 5207840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).