4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol

C12H24O4Si — CID 14523914

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](C)(C)OC1C=COC(CO)C1O
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-6-7-15-10(8-13)11(9)14/h6-7,9-11,13-14H,8H2,1-5H3
InChIKeyXNWSEITVXQEVNP-UHFFFAOYSA-N
MW260.41 g/mol
LogP1.64
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol

4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol (PubChem CID 14523914) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
PubChem CID14523914
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](C)(C)OC1C=COC(CO)C1O
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-6-7-15-10(8-13)11(9)14/h6-7,9-11,13-14H,8H2,1-5H3
InChIKeyXNWSEITVXQEVNP-UHFFFAOYSA-N
XLogP1.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
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 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol (CID 14523914) is 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol is CC(C)(C)[Si](C)(C)OC1C=COC(CO)C1O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol?
The InChIKey is XNWSEITVXQEVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-6-7-15-10(8-13)11(9)14/h6-7,9-11,13-14H,8H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol?
4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol has a molecular weight of 260.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 14523914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).