[(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate

C16H26O4Si — CID 10990550

IUPAC[(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](OC(C)C)O[C@@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C16H26O4Si/c1-12(2)18-16-10-9-15(19-13(3)17)14(20-16)8-7-11-21(4,5)6/h9-10,12,14-16H,8H2,1-6H3/t14-,15+,16+/m1/s1
InChIKeyWMHTZSFUVZJBPJ-PMPSAXMXSA-N
MW310.47 g/mol
LogP2.90
Rot. Bonds4

About [(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate

[(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate (PubChem CID 10990550) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is [(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate
PubChem CID10990550
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Name[(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](OC(C)C)O[C@@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C16H26O4Si/c1-12(2)18-16-10-9-15(19-13(3)17)14(20-16)8-7-11-21(4,5)6/h9-10,12,14-16H,8H2,1-6H3/t14-,15+,16+/m1/s1
InChIKeyWMHTZSFUVZJBPJ-PMPSAXMXSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate (CID 10990550) is [(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate.
What is the SMILES notation for [(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate is CC(=O)O[C@H]1C=C[C@@H](OC(C)C)O[C@@H]1CC#C[Si](C)(C)C.
What is the InChIKey of [(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is WMHTZSFUVZJBPJ-PMPSAXMXSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-12(2)18-16-10-9-15(19-13(3)17)14(20-16)8-7-11-21(4,5)6/h9-10,12,14-16H,8H2,1-6H3/t14-,15+,16+/m1/s1.
What are the key properties of [(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate?
[(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate has a molecular weight of 310.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate is sourced from PubChem (CID 10990550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).