(2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol

C16H28O4Si — CID 10267547

IUPAC(2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCCOC(C)O[C@@H]1C=C[C@H](O)[C@@H](CCC#C[Si](C)(C)C)O1
InChIInChI=1S/C16H28O4Si/c1-6-18-13(2)19-16-11-10-14(17)15(20-16)9-7-8-12-21(3,4)5/h10-11,13-17H,6-7,9H2,1-5H3/t13?,14-,15+,16-/m0/s1
InChIKeyHVBPKZJKKZIKTQ-UYTSQGDYSA-N
MW312.48 g/mol
LogP2.69
Rot. Bonds6

About (2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol

(2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 10267547) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is (2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID10267547
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Name(2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCCOC(C)O[C@@H]1C=C[C@H](O)[C@@H](CCC#C[Si](C)(C)C)O1
InChIInChI=1S/C16H28O4Si/c1-6-18-13(2)19-16-11-10-14(17)15(20-16)9-7-8-12-21(3,4)5/h10-11,13-17H,6-7,9H2,1-5H3/t13?,14-,15+,16-/m0/s1
InChIKeyHVBPKZJKKZIKTQ-UYTSQGDYSA-N
XLogP2.69
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol (CID 10267547) is (2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol is CCOC(C)O[C@@H]1C=C[C@H](O)[C@@H](CCC#C[Si](C)(C)C)O1.
What is the InChIKey of (2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is HVBPKZJKKZIKTQ-UYTSQGDYSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-6-18-13(2)19-16-11-10-14(17)15(20-16)9-7-8-12-21(3,4)5/h10-11,13-17H,6-7,9H2,1-5H3/t13?,14-,15+,16-/m0/s1.
What are the key properties of (2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol?
(2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 312.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 10267547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).