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

C13H26O3Si — CID 140863598

IUPAC[(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC=C[C@H](CO)O1
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)15-10-12-8-6-7-11(9-14)16-12/h6-7,11-12,14H,8-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyWLUGYYDSVZTJPY-NEPJUHHUSA-N
MW258.43 g/mol
LogP2.71
Rot. Bonds4

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

[(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol (PubChem CID 140863598) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is [(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol.

Molecular Properties

Compound Name[(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol
PubChem CID140863598
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name[(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC=C[C@H](CO)O1
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)15-10-12-8-6-7-11(9-14)16-12/h6-7,11-12,14H,8-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyWLUGYYDSVZTJPY-NEPJUHHUSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 [(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol?
The IUPAC name of [(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol (CID 140863598) is [(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol.
What is the SMILES notation for [(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol?
The canonical SMILES for [(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol is CC(C)(C)[Si](C)(C)OC[C@@H]1CC=C[C@H](CO)O1.
What is the InChIKey of [(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol?
The InChIKey is WLUGYYDSVZTJPY-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)15-10-12-8-6-7-11(9-14)16-12/h6-7,11-12,14H,8-10H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of [(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol?
[(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol has a molecular weight of 258.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol is sourced from PubChem (CID 140863598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).