[(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane

C18H28O4Si — CID 10497125

IUPAC[(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC#CCO[C@@H]1C=C[C@H](OCC#C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H28O4Si/c1-8-12-19-15-10-11-17(20-13-9-2)22-16(15)14-21-23(6,7)18(3,4)5/h1-2,10-11,15-17H,12-14H2,3-7H3/t15-,16+,17-/m0/s1
InChIKeyGSFOFOSMPZFCSC-BBWFWOEESA-N
MW336.50 g/mol
LogP2.96
Rot. Bonds7

About [(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10497125) has the molecular formula C18H28O4Si and a molecular weight of 336.50 g/mol. Its IUPAC name is [(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10497125
Molecular FormulaC18H28O4Si
Molecular Weight336.50 g/mol
Exact Mass336.18
IUPAC Name[(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC#CCO[C@@H]1C=C[C@H](OCC#C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H28O4Si/c1-8-12-19-15-10-11-17(20-13-9-2)22-16(15)14-21-23(6,7)18(3,4)5/h1-2,10-11,15-17H,12-14H2,3-7H3/t15-,16+,17-/m0/s1
InChIKeyGSFOFOSMPZFCSC-BBWFWOEESA-N
XLogP2.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.96
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)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 10497125) is [(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is C#CCO[C@@H]1C=C[C@H](OCC#C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is GSFOFOSMPZFCSC-BBWFWOEESA-N. The full InChI is InChI=1S/C18H28O4Si/c1-8-12-19-15-10-11-17(20-13-9-2)22-16(15)14-21-23(6,7)18(3,4)5/h1-2,10-11,15-17H,12-14H2,3-7H3/t15-,16+,17-/m0/s1.
What are the key properties of [(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 336.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10497125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).