tert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane

C24H36OS2Si2 — CID 101184037

IUPACtert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane
SMILESCC(C)(C)[Si](OCC1([Si](C)(C)C)SCCCS1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H36OS2Si2/c1-23(2,3)29(21-14-9-7-10-15-21,22-16-11-8-12-17-22)25-20-24(28(4,5)6)26-18-13-19-27-24/h7-12,14-17H,13,18-20H2,1-6H3
InChIKeyPMDNTCJCEDNGEZ-UHFFFAOYSA-N
MW460.86 g/mol
LogP6.01
Rot. Bonds6

About tert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane

tert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane (PubChem CID 101184037) has the molecular formula C24H36OS2Si2 and a molecular weight of 460.86 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane
PubChem CID101184037
Molecular FormulaC24H36OS2Si2
Molecular Weight460.86 g/mol
Exact Mass460.17
IUPAC Nametert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane
SMILESCC(C)(C)[Si](OCC1([Si](C)(C)C)SCCCS1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H36OS2Si2/c1-23(2,3)29(21-14-9-7-10-15-21,22-16-11-8-12-17-22)25-20-24(28(4,5)6)26-18-13-19-27-24/h7-12,14-17H,13,18-20H2,1-6H3
InChIKeyPMDNTCJCEDNGEZ-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.86
LogP ≤ 56.01
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-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane (CID 101184037) is tert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane is CC(C)(C)[Si](OCC1([Si](C)(C)C)SCCCS1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane?
The InChIKey is PMDNTCJCEDNGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36OS2Si2/c1-23(2,3)29(21-14-9-7-10-15-21,22-16-11-8-12-17-22)25-20-24(28(4,5)6)26-18-13-19-27-24/h7-12,14-17H,13,18-20H2,1-6H3.
What are the key properties of tert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane?
tert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane has a molecular weight of 460.86 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(2-trimethylsilyl-1,3-dithian-2-yl)methoxy]silane is sourced from PubChem (CID 101184037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).