tert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane

C17H26O2SSi — CID 10567898

IUPACtert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(Sc2ccccc2)=CO1
InChIInChI=1S/C17H26O2SSi/c1-17(2,3)21(4,5)19-12-14-11-16(13-18-14)20-15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3/t14-/m0/s1
InChIKeyUWJAVDXGRWDMIM-AWEZNQCLSA-N
MW322.55 g/mol
LogP5.43
Rot. Bonds5

About tert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane (PubChem CID 10567898) has the molecular formula C17H26O2SSi and a molecular weight of 322.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane
PubChem CID10567898
Molecular FormulaC17H26O2SSi
Molecular Weight322.55 g/mol
Exact Mass322.14
IUPAC Nametert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(Sc2ccccc2)=CO1
InChIInChI=1S/C17H26O2SSi/c1-17(2,3)21(4,5)19-12-14-11-16(13-18-14)20-15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3/t14-/m0/s1
InChIKeyUWJAVDXGRWDMIM-AWEZNQCLSA-N
XLogP5.43
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 ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane (CID 10567898) is tert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@@H]1CC(Sc2ccccc2)=CO1.
What is the InChIKey of tert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane?
The InChIKey is UWJAVDXGRWDMIM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26O2SSi/c1-17(2,3)21(4,5)19-12-14-11-16(13-18-14)20-15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3/t14-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane has a molecular weight of 322.55 g/mol, XLogP of 5.43, 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)-4-phenylsulfanyl-2,3-dihydrofuran-2-yl]methoxy]silane is sourced from PubChem (CID 10567898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).