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

C27H30O2SSi — CID 102001880

IUPACtert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](OC[C@@H]1C=CC(Sc2ccccc2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O2SSi/c1-27(2,3)31(24-15-9-5-10-16-24,25-17-11-6-12-18-25)28-21-22-19-20-26(29-22)30-23-13-7-4-8-14-23/h4-20,22,26H,21H2,1-3H3/t22-,26?/m0/s1
InChIKeyQFSJAEKIZOBHQO-CHQVSRGASA-N
MW446.69 g/mol
LogP5.64
Rot. Bonds7

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

tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane (PubChem CID 102001880) has the molecular formula C27H30O2SSi and a molecular weight of 446.69 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane
PubChem CID102001880
Molecular FormulaC27H30O2SSi
Molecular Weight446.69 g/mol
Exact Mass446.17
IUPAC Nametert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](OC[C@@H]1C=CC(Sc2ccccc2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O2SSi/c1-27(2,3)31(24-15-9-5-10-16-24,25-17-11-6-12-18-25)28-21-22-19-20-26(29-22)30-23-13-7-4-8-14-23/h4-20,22,26H,21H2,1-3H3/t22-,26?/m0/s1
InChIKeyQFSJAEKIZOBHQO-CHQVSRGASA-N
XLogP5.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.69
LogP ≤ 55.64
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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Related Compounds

Nlyvbpgsbmwamx-brwvuggusa-
CID 14408016
tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane
CID 15109242
CID 57693497
CID 57693497
tert-butyl-[[(2S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane
CID 70795385
tert-butyl-dimethyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane
CID 102001879
tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
CID 139640160
tert-butyl-dimethyl-[[(2S,5S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane
CID 139721712
tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane
CID 140536386
[4-[2-(2-Methoxyethoxy)ethoxy]cyclohexa-2,4-dien-1-yl]-diphenylsulfanium
CID 163489484
tert-butyl-[[(2R,3S,6S)-6-ethoxy-2-[(E)-4-phenylsulfanylbut-2-enyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-diphenylsilane
CID 10460055
(4aR,9aS)-2,2-ditert-butyl-6-phenylsulfanyl-4a,6,7,9a-tetrahydro-4H-[1,3,2]dioxasilino[5,4-b]oxepine
CID 10668258
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane (CID 102001880) is tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane is CC(C)(C)[Si](OC[C@@H]1C=CC(Sc2ccccc2)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane?
The InChIKey is QFSJAEKIZOBHQO-CHQVSRGASA-N. The full InChI is InChI=1S/C27H30O2SSi/c1-27(2,3)31(24-15-9-5-10-16-24,25-17-11-6-12-18-25)28-21-22-19-20-26(29-22)30-23-13-7-4-8-14-23/h4-20,22,26H,21H2,1-3H3/t22-,26?/m0/s1.
What are the key properties of tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane?
tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane has a molecular weight of 446.69 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane is sourced from PubChem (CID 102001880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).