(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol

C16H32O4Si — CID 10639158

IUPAC(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)O[C@@H]1C=C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O4Si/c1-15(2,3)20-14-10-9-12(17)13(19-14)11-18-21(7,8)16(4,5)6/h9-10,12-14,17H,11H2,1-8H3/t12-,13+,14+/m0/s1
InChIKeyJUGWCZAACRZMTM-BFHYXJOUSA-N
MW316.51 g/mol
LogP3.47
Rot. Bonds4

About (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol

(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol (PubChem CID 10639158) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol
PubChem CID10639158
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)O[C@@H]1C=C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O4Si/c1-15(2,3)20-14-10-9-12(17)13(19-14)11-18-21(7,8)16(4,5)6/h9-10,12-14,17H,11H2,1-8H3/t12-,13+,14+/m0/s1
InChIKeyJUGWCZAACRZMTM-BFHYXJOUSA-N
XLogP3.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol (CID 10639158) is (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol is CC(C)(C)O[C@@H]1C=C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is JUGWCZAACRZMTM-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-15(2,3)20-14-10-9-12(17)13(19-14)11-18-21(7,8)16(4,5)6/h9-10,12-14,17H,11H2,1-8H3/t12-,13+,14+/m0/s1.
What are the key properties of (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol?
(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 316.51 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 10639158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).