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

C13H24O5Si — CID 102526055

IUPAC[(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)OC1
InChIInChI=1S/C13H24O5Si/c1-13(2,3)19(5,6)18-11-8-7-10(9-16-11)17-12(14)15-4/h7-8,10-11H,9H2,1-6H3/t10-,11-/m1/s1
InChIKeyYUZNMHCZRGSDQA-GHMZBOCLSA-N
MW288.42 g/mol
LogP3.07
Rot. Bonds3

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

[(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate (PubChem CID 102526055) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is [(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate.

Molecular Properties

Compound Name[(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
PubChem CID102526055
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name[(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)OC1
InChIInChI=1S/C13H24O5Si/c1-13(2,3)19(5,6)18-11-8-7-10(9-16-11)17-12(14)15-4/h7-8,10-11H,9H2,1-6H3/t10-,11-/m1/s1
InChIKeyYUZNMHCZRGSDQA-GHMZBOCLSA-N
XLogP3.07
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate
CID 15403703
tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
[(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate
CID 11078492
[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 11791894
[(2R,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 12193236
[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
CID 15326321
[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
CID 46702477
tert-butyl-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
CID 85054611
[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 101036593
tert-butyl-[[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 101768460
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 102526053

Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate?
The IUPAC name of [(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate (CID 102526055) is [(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate.
What is the SMILES notation for [(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate?
The canonical SMILES for [(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate is COC(=O)O[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)OC1.
What is the InChIKey of [(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate?
The InChIKey is YUZNMHCZRGSDQA-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H24O5Si/c1-13(2,3)19(5,6)18-11-8-7-10(9-16-11)17-12(14)15-4/h7-8,10-11H,9H2,1-6H3/t10-,11-/m1/s1.
What are the key properties of [(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate?
[(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate has a molecular weight of 288.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate is sourced from PubChem (CID 102526055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).