tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate

C17H30O6Si — CID 11439780

IUPACtert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate
SMILESCC(C)(C)OC(=O)O[C@H]1C=CC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H30O6Si/c1-16(2,3)23-15(19)22-14-10-9-12(18)13(21-14)11-20-24(7,8)17(4,5)6/h9-10,13-14H,11H2,1-8H3/t13-,14-/m0/s1
InChIKeyJZUINNRSCUVZPL-KBPBESRZSA-N
MW358.51 g/mol
LogP3.81
Rot. Bonds4

About tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate

tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate (PubChem CID 11439780) has the molecular formula C17H30O6Si and a molecular weight of 358.51 g/mol. Its IUPAC name is tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate
PubChem CID11439780
Molecular FormulaC17H30O6Si
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Nametert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate
SMILESCC(C)(C)OC(=O)O[C@H]1C=CC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H30O6Si/c1-16(2,3)23-15(19)22-14-10-9-12(18)13(21-14)11-20-24(7,8)17(4,5)6/h9-10,13-14H,11H2,1-8H3/t13-,14-/m0/s1
InChIKeyJZUINNRSCUVZPL-KBPBESRZSA-N
XLogP3.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S,6R)-5-oxo-2-pentoxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305269
[(2S,6R)-2-isopropoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 11402978
[(2S,6R)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53249072
[(2S,6R)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53249073
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-isopentyloxy-2H-pyran-5-one
CID 53304832
[(2S,6R)-2-butoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305266
[(2S,6R)-2-isobutoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305267
[(2R,6R)-2-tert-butoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305268
[(2R,6R)-2-tert-butoxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53305415
[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 54582354
[(2R,6S)-3-Oxo-6-(propan-2-yloxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 54584293
(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 11368925

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate?
The IUPAC name of tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate (CID 11439780) is tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate.
What is the SMILES notation for tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate?
The canonical SMILES for tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate is CC(C)(C)OC(=O)O[C@H]1C=CC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate?
The InChIKey is JZUINNRSCUVZPL-KBPBESRZSA-N. The full InChI is InChI=1S/C17H30O6Si/c1-16(2,3)23-15(19)22-14-10-9-12(18)13(21-14)11-20-24(7,8)17(4,5)6/h9-10,13-14H,11H2,1-8H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate?
tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate has a molecular weight of 358.51 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate is sourced from PubChem (CID 11439780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).