tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane

C18H27FO2Si — CID 154712782

IUPACtert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
SMILESCC1=C[C@H](c2ccc(F)cc2)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27FO2Si/c1-13-11-16(14-7-9-15(19)10-8-14)21-17(13)12-20-22(5,6)18(2,3)4/h7-11,16-17H,12H2,1-6H3/t16-,17-/m1/s1
InChIKeyRSLJHRYUEZTTGQ-IAGOWNOFSA-N
MW322.50 g/mol
LogP5.23
Rot. Bonds4

About tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane (PubChem CID 154712782) has the molecular formula C18H27FO2Si and a molecular weight of 322.50 g/mol. Its IUPAC name is tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
PubChem CID154712782
Molecular FormulaC18H27FO2Si
Molecular Weight322.50 g/mol
Exact Mass322.18
IUPAC Nametert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
SMILESCC1=C[C@H](c2ccc(F)cc2)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27FO2Si/c1-13-11-16(14-7-9-15(19)10-8-14)21-17(13)12-20-22(5,6)18(2,3)4/h7-11,16-17H,12H2,1-6H3/t16-,17-/m1/s1
InChIKeyRSLJHRYUEZTTGQ-IAGOWNOFSA-N
XLogP5.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane (CID 154712782) is tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane is CC1=C[C@H](c2ccc(F)cc2)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane?
The InChIKey is RSLJHRYUEZTTGQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H27FO2Si/c1-13-11-16(14-7-9-15(19)10-8-14)21-17(13)12-20-22(5,6)18(2,3)4/h7-11,16-17H,12H2,1-6H3/t16-,17-/m1/s1.
What are the key properties of tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane has a molecular weight of 322.50 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 154712782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).