3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol

C17H34O4Si — CID 71169433

IUPAC3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol
SMILESCC[C@@H]1C=CC(CO[Si](C)(C)C(C)(C)C)O[C@@H]1CC(O)CO
InChIInChI=1S/C17H34O4Si/c1-7-13-8-9-15(21-16(13)10-14(19)11-18)12-20-22(5,6)17(2,3)4/h8-9,13-16,18-19H,7,10-12H2,1-6H3/t13-,14?,15?,16-/m1/s1
InChIKeyFHWYTMXJRXWOPI-PRLABOORSA-N
MW330.54 g/mol
LogP3.10
Rot. Bonds7

About 3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol

3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol (PubChem CID 71169433) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is 3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol
PubChem CID71169433
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol
SMILESCC[C@@H]1C=CC(CO[Si](C)(C)C(C)(C)C)O[C@@H]1CC(O)CO
InChIInChI=1S/C17H34O4Si/c1-7-13-8-9-15(21-16(13)10-14(19)11-18)12-20-22(5,6)17(2,3)4/h8-9,13-16,18-19H,7,10-12H2,1-6H3/t13-,14?,15?,16-/m1/s1
InChIKeyFHWYTMXJRXWOPI-PRLABOORSA-N
XLogP3.10
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.10
H-Bond Donors ≤ 52
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 3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol?
The IUPAC name of 3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol (CID 71169433) is 3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol.
What is the SMILES notation for 3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol?
The canonical SMILES for 3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol is CC[C@@H]1C=CC(CO[Si](C)(C)C(C)(C)C)O[C@@H]1CC(O)CO.
What is the InChIKey of 3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol?
The InChIKey is FHWYTMXJRXWOPI-PRLABOORSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-7-13-8-9-15(21-16(13)10-14(19)11-18)12-20-22(5,6)17(2,3)4/h8-9,13-16,18-19H,7,10-12H2,1-6H3/t13-,14?,15?,16-/m1/s1.
What are the key properties of 3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol?
3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol has a molecular weight of 330.54 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-3,6-dihydro-2H-pyran-2-yl]propane-1,2-diol is sourced from PubChem (CID 71169433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).