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

C13H26O3Si — CID 70871896

IUPAC(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-ol
SMILESC[C@@H]1C=C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O3Si/c1-10-7-8-11(14)12(16-10)9-15-17(5,6)13(2,3)4/h7-8,10-12,14H,9H2,1-6H3/t10-,11+,12-/m1/s1
InChIKeyNLDXHECOBYGDQR-GRYCIOLGSA-N
MW258.43 g/mol
LogP2.71
Rot. Bonds3

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

(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-ol (PubChem CID 70871896) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-ol
PubChem CID70871896
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-ol
SMILESC[C@@H]1C=C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O3Si/c1-10-7-8-11(14)12(16-10)9-15-17(5,6)13(2,3)4/h7-8,10-12,14H,9H2,1-6H3/t10-,11+,12-/m1/s1
InChIKeyNLDXHECOBYGDQR-GRYCIOLGSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-ol (CID 70871896) is (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-ol is C[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-methyl-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is NLDXHECOBYGDQR-GRYCIOLGSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-10-7-8-11(14)12(16-10)9-15-17(5,6)13(2,3)4/h7-8,10-12,14H,9H2,1-6H3/t10-,11+,12-/m1/s1.
What are the key properties of (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-ol?
(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 258.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 70871896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).