tert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane

C19H24OSSi — CID 54534903

IUPACtert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc2sc3ccccc3c12
InChIInChI=1S/C19H24OSSi/c1-19(2,3)22(4,5)20-13-14-9-8-12-17-18(14)15-10-6-7-11-16(15)21-17/h6-12H,13H2,1-5H3
InChIKeyYZCCFFYCXSKTNQ-UHFFFAOYSA-N
MW328.55 g/mol
LogP6.58
Rot. Bonds3

About tert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane

tert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane (PubChem CID 54534903) has the molecular formula C19H24OSSi and a molecular weight of 328.55 g/mol. Its IUPAC name is tert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane
PubChem CID54534903
Molecular FormulaC19H24OSSi
Molecular Weight328.55 g/mol
Exact Mass328.13
IUPAC Nametert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc2sc3ccccc3c12
InChIInChI=1S/C19H24OSSi/c1-19(2,3)22(4,5)20-13-14-9-8-12-17-18(14)15-10-6-7-11-16(15)21-17/h6-12H,13H2,1-5H3
InChIKeyYZCCFFYCXSKTNQ-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.55
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(dibenzothiophen-1-ylmethoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane (CID 54534903) is tert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cccc2sc3ccccc3c12.
What is the InChIKey of tert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane?
The InChIKey is YZCCFFYCXSKTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24OSSi/c1-19(2,3)22(4,5)20-13-14-9-8-12-17-18(14)15-10-6-7-11-16(15)21-17/h6-12H,13H2,1-5H3.
What are the key properties of tert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane?
tert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane has a molecular weight of 328.55 g/mol, XLogP of 6.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane is sourced from PubChem (CID 54534903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).