2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one

C12H22O4Si — CID 67809616

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC(O)=CC(=O)O1
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)15-8-10-6-9(13)7-11(14)16-10/h7,10,13H,6,8H2,1-5H3
InChIKeyBBMXCXPHXJGWDU-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.77
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one (PubChem CID 67809616) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one
PubChem CID67809616
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC(O)=CC(=O)O1
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)15-8-10-6-9(13)7-11(14)16-10/h7,10,13H,6,8H2,1-5H3
InChIKeyBBMXCXPHXJGWDU-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one (CID 67809616) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one is CC(C)(C)[Si](C)(C)OCC1CC(O)=CC(=O)O1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one?
The InChIKey is BBMXCXPHXJGWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)15-8-10-6-9(13)7-11(14)16-10/h7,10,13H,6,8H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,3-dihydropyran-6-one has a molecular weight of 258.39 g/mol, XLogP of 2.77, 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]-4-hydroxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 67809616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).