tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane

C24H30O2SSi — CID 24988907

IUPACtert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCSCc1ccco1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30O2SSi/c1-24(2,3)28(22-13-6-4-7-14-22,23-15-8-5-9-16-23)26-18-11-19-27-20-21-12-10-17-25-21/h4-10,12-17H,11,18-20H2,1-3H3
InChIKeyIQZKSNOTZBAINZ-UHFFFAOYSA-N
MW410.66 g/mol
LogP5.48
Rot. Bonds9

About tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane

tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane (PubChem CID 24988907) has the molecular formula C24H30O2SSi and a molecular weight of 410.66 g/mol. Its IUPAC name is tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane
PubChem CID24988907
Molecular FormulaC24H30O2SSi
Molecular Weight410.66 g/mol
Exact Mass410.17
IUPAC Nametert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCSCc1ccco1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30O2SSi/c1-24(2,3)28(22-13-6-4-7-14-22,23-15-8-5-9-16-23)26-18-11-19-27-20-21-12-10-17-25-21/h4-10,12-17H,11,18-20H2,1-3H3
InChIKeyIQZKSNOTZBAINZ-UHFFFAOYSA-N
XLogP5.48
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.66
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenoxypropylsulfanylmethyl)furan
CID 78846523
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
CID 140893830
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane (CID 24988907) is tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane is CC(C)(C)[Si](OCCCSCc1ccco1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane?
The InChIKey is IQZKSNOTZBAINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2SSi/c1-24(2,3)28(22-13-6-4-7-14-22,23-15-8-5-9-16-23)26-18-11-19-27-20-21-12-10-17-25-21/h4-10,12-17H,11,18-20H2,1-3H3.
What are the key properties of tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane?
tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane has a molecular weight of 410.66 g/mol, XLogP of 5.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane is sourced from PubChem (CID 24988907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).