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

C13H22O5Si — CID 22937909

IUPAC6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(O)c(CO)o1
InChIInChI=1S/C13H22O5Si/c1-13(2,3)19(4,5)17-8-9-6-10(15)12(16)11(7-14)18-9/h6,14,16H,7-8H2,1-5H3
InChIKeyXJCJBATYNMPDRK-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.36
Rot. Bonds4

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

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one (PubChem CID 22937909) has the molecular formula C13H22O5Si and a molecular weight of 286.40 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one.

Molecular Properties

Compound Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one
PubChem CID22937909
Molecular FormulaC13H22O5Si
Molecular Weight286.40 g/mol
Exact Mass286.12
IUPAC Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(O)c(CO)o1
InChIInChI=1S/C13H22O5Si/c1-13(2,3)19(4,5)17-8-9-6-10(15)12(16)11(7-14)18-9/h6,14,16H,7-8H2,1-5H3
InChIKeyXJCJBATYNMPDRK-UHFFFAOYSA-N
XLogP2.36
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-ol
CID 46737927
CID 87151651
CID 87151651
[3-(bromomethyl)-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 67336191
[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol
CID 159353997
(4-bromofuran-2-yl)methoxy-tert-butyl-dimethylsilane
CID 68521066
1-benzofuran-2-ylmethoxy-tert-butyl-dimethylsilane
CID 135029239
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
CID 88612540
5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile
CID 68522108
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
CID 15649271
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one
CID 11449631

Frequently Asked Questions

What is the IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one?
The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one (CID 22937909) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one.
What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one?
The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one is CC(C)(C)[Si](C)(C)OCc1cc(=O)c(O)c(CO)o1.
What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one?
The InChIKey is XJCJBATYNMPDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5Si/c1-13(2,3)19(4,5)17-8-9-6-10(15)12(16)11(7-14)18-9/h6,14,16H,7-8H2,1-5H3.
What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one?
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one has a molecular weight of 286.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one is sourced from PubChem (CID 22937909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).