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

C17H32O5Si — CID 10712499

IUPAC[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@H]1C=C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H32O5Si/c1-16(2,3)15(19)22-14-10-9-12(18)13(21-14)11-20-23(7,8)17(4,5)6/h9-10,12-14,18H,11H2,1-8H3/t12-,13+,14+/m0/s1
InChIKeyHPMCJILMTVJJEO-BFHYXJOUSA-N
MW344.52 g/mol
LogP3.24
Rot. Bonds4

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

[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate (PubChem CID 10712499) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate
PubChem CID10712499
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Name[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@H]1C=C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H32O5Si/c1-16(2,3)15(19)22-14-10-9-12(18)13(21-14)11-20-23(7,8)17(4,5)6/h9-10,12-14,18H,11H2,1-8H3/t12-,13+,14+/m0/s1
InChIKeyHPMCJILMTVJJEO-BFHYXJOUSA-N
XLogP3.24
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
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

[(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate
CID 11455904
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 101259942
[(2S,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,4S,5S,6S,7Z,9Z,11E)-4-(2-ethoxyethoxy)-6-hydroxy-5-methylheptadeca-1,7,9,11-tetraenyl]-3,6-dihydro-2H-pyran-3-yl] 2,2-dimethylpropanoate
CID 101497624
[(2S,3R,6S,7R)-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3,6,7-tetrahydrooxepin-3-yl] acetate
CID 10389555
(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol
CID 59027009
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol
CID 68710889
[(2R,3S,6R,7S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3,6,7-tetrahydrooxepin-3-yl] acetate
CID 10389556
(2R,3S,6S)-6-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 10471049
[(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate
CID 10545420
[(2R,3S,6R)-3-hydroxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methyl 2,2-dimethylpropanoate
CID 10611945
(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 10613375

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate (CID 10712499) is [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[C@@H]1C=C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate?
The InChIKey is HPMCJILMTVJJEO-BFHYXJOUSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-16(2,3)15(19)22-14-10-9-12(18)13(21-14)11-20-23(7,8)17(4,5)6/h9-10,12-14,18H,11H2,1-8H3/t12-,13+,14+/m0/s1.
What are the key properties of [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate?
[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate has a molecular weight of 344.52 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10712499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).