tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane

C21H28O2SSi — CID 10981586

IUPACtert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane
SMILESCC(C)(C)[Si](OC1CCS(=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2SSi/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-18-14-16-24(22)17-15-18/h4-13,18H,14-17H2,1-3H3
InChIKeyPXRUMVZLLSZMQX-UHFFFAOYSA-N
MW372.61 g/mol
LogP3.47
Rot. Bonds4

About tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane

tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane (PubChem CID 10981586) has the molecular formula C21H28O2SSi and a molecular weight of 372.61 g/mol. Its IUPAC name is tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane
PubChem CID10981586
Molecular FormulaC21H28O2SSi
Molecular Weight372.61 g/mol
Exact Mass372.16
IUPAC Nametert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane
SMILESCC(C)(C)[Si](OC1CCS(=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2SSi/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-18-14-16-24(22)17-15-18/h4-13,18H,14-17H2,1-3H3
InChIKeyPXRUMVZLLSZMQX-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.61
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-[2,2-difluoro-4-(trifluoromethylsulfonyl)butoxy]-diphenylsilane
CID 154612080
tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
CID 10863530
tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane
CID 10982624
[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 10994068
Tert-butyl-[2-(2-methyl-1,3-dithian-2-yl)ethoxy]-diphenylsilane
CID 11004259
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900
tert-butyl-[[(2S)-5-tert-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 11732356
tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 15191432
tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 15191434
tert-butyl-[(2R,5S)-5-butylsulfanylhexan-2-yl]oxy-diphenylsilane
CID 134846418
tert-butyl-[(Z,4S)-4-methyl-5-[(S)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
CID 134880777
tert-butyl-[(E,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
CID 134880939

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane?
The IUPAC name of tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane (CID 10981586) is tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane?
The canonical SMILES for tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane is CC(C)(C)[Si](OC1CCS(=O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane?
The InChIKey is PXRUMVZLLSZMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2SSi/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-18-14-16-24(22)17-15-18/h4-13,18H,14-17H2,1-3H3.
What are the key properties of tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane?
tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane has a molecular weight of 372.61 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane is sourced from PubChem (CID 10981586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).