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

C16H30O6Si — CID 11791894

IUPAC[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
SMILESCCO[C@@H]1C=C[C@H](OC(=O)OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O6Si/c1-8-19-14-10-9-12(22-15(17)18-5)13(21-14)11-20-23(6,7)16(2,3)4/h9-10,12-14H,8,11H2,1-7H3/t12-,13+,14-/m0/s1
InChIKeyHMKZBMFEKXQADF-MJBXVCDLSA-N
MW346.50 g/mol
LogP3.48
Rot. Bonds6

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

[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate (PubChem CID 11791894) has the molecular formula C16H30O6Si and a molecular weight of 346.50 g/mol. Its IUPAC name is [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate.

Molecular Properties

Compound Name[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
PubChem CID11791894
Molecular FormulaC16H30O6Si
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
SMILESCCO[C@@H]1C=C[C@H](OC(=O)OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O6Si/c1-8-19-14-10-9-12(22-15(17)18-5)13(21-14)11-20-23(6,7)16(2,3)4/h9-10,12-14H,8,11H2,1-7H3/t12-,13+,14-/m0/s1
InChIKeyHMKZBMFEKXQADF-MJBXVCDLSA-N
XLogP3.48
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate?
The IUPAC name of [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate (CID 11791894) is [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate.
What is the SMILES notation for [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate?
The canonical SMILES for [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate is CCO[C@@H]1C=C[C@H](OC(=O)OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate?
The InChIKey is HMKZBMFEKXQADF-MJBXVCDLSA-N. The full InChI is InChI=1S/C16H30O6Si/c1-8-19-14-10-9-12(22-15(17)18-5)13(21-14)11-20-23(6,7)16(2,3)4/h9-10,12-14H,8,11H2,1-7H3/t12-,13+,14-/m0/s1.
What are the key properties of [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate?
[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate has a molecular weight of 346.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate is sourced from PubChem (CID 11791894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).