[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate

C13H25NO5Si — CID 53483165

IUPAC[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OCC=C[C@H]1OC(=O)NO
InChIInChI=1S/C13H25NO5Si/c1-13(2,3)20(4,5)18-9-11-10(7-6-8-17-11)19-12(15)14-16/h6-7,10-11,16H,8-9H2,1-5H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyCGXIWBFUVRTWNN-GHMZBOCLSA-N
MW303.43 g/mol
LogP2.45
Rot. Bonds4

About [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate

[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate (PubChem CID 53483165) has the molecular formula C13H25NO5Si and a molecular weight of 303.43 g/mol. Its IUPAC name is [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate.

Molecular Properties

Compound Name[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate
PubChem CID53483165
Molecular FormulaC13H25NO5Si
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OCC=C[C@H]1OC(=O)NO
InChIInChI=1S/C13H25NO5Si/c1-13(2,3)20(4,5)18-9-11-10(7-6-8-17-11)19-12(15)14-16/h6-7,10-11,16H,8-9H2,1-5H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyCGXIWBFUVRTWNN-GHMZBOCLSA-N
XLogP2.45
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate?
The IUPAC name of [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate (CID 53483165) is [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate.
What is the SMILES notation for [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate?
The canonical SMILES for [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate is CC(C)(C)[Si](C)(C)OC[C@H]1OCC=C[C@H]1OC(=O)NO.
What is the InChIKey of [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate?
The InChIKey is CGXIWBFUVRTWNN-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H25NO5Si/c1-13(2,3)20(4,5)18-9-11-10(7-6-8-17-11)19-12(15)14-16/h6-7,10-11,16H,8-9H2,1-5H3,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate?
[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate has a molecular weight of 303.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate is sourced from PubChem (CID 53483165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).