tert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane

C17H26O2SSi — CID 139721712

IUPACtert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](Sc2ccccc2)O1
InChIInChI=1S/C17H26O2SSi/c1-17(2,3)21(4,5)18-13-14-11-12-16(19-14)20-15-9-7-6-8-10-15/h6-12,14,16H,13H2,1-5H3/t14-,16-/m0/s1
InChIKeyBIPZKCFZRHDJJM-HOCLYGCPSA-N
MW322.55 g/mol
LogP5.08
Rot. Bonds5

About tert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane (PubChem CID 139721712) has the molecular formula C17H26O2SSi and a molecular weight of 322.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane
PubChem CID139721712
Molecular FormulaC17H26O2SSi
Molecular Weight322.55 g/mol
Exact Mass322.14
IUPAC Nametert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](Sc2ccccc2)O1
InChIInChI=1S/C17H26O2SSi/c1-17(2,3)21(4,5)18-13-14-11-12-16(19-14)20-15-9-7-6-8-10-15/h6-12,14,16H,13H2,1-5H3/t14-,16-/m0/s1
InChIKeyBIPZKCFZRHDJJM-HOCLYGCPSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.55
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane (CID 139721712) is tert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](Sc2ccccc2)O1.
What is the InChIKey of tert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane?
The InChIKey is BIPZKCFZRHDJJM-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H26O2SSi/c1-17(2,3)21(4,5)18-13-14-11-12-16(19-14)20-15-9-7-6-8-10-15/h6-12,14,16H,13H2,1-5H3/t14-,16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane has a molecular weight of 322.55 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane is sourced from PubChem (CID 139721712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).