butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane

C19H24OSSi — CID 54555747

IUPACbutyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane
SMILESCCCC[Si](C)(C)OCc1cccc2sc3ccccc3c12
InChIInChI=1S/C19H24OSSi/c1-4-5-13-22(2,3)20-14-15-9-8-12-18-19(15)16-10-6-7-11-17(16)21-18/h6-12H,4-5,13-14H2,1-3H3
InChIKeyZNASCIXPMAHBIP-UHFFFAOYSA-N
MW328.55 g/mol
LogP6.58
Rot. Bonds6

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

butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane (PubChem CID 54555747) has the molecular formula C19H24OSSi and a molecular weight of 328.55 g/mol. Its IUPAC name is butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane.

Molecular Properties

Compound Namebutyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane
PubChem CID54555747
Molecular FormulaC19H24OSSi
Molecular Weight328.55 g/mol
Exact Mass328.13
IUPAC Namebutyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane
SMILESCCCC[Si](C)(C)OCc1cccc2sc3ccccc3c12
InChIInChI=1S/C19H24OSSi/c1-4-5-13-22(2,3)20-14-15-9-8-12-18-19(15)16-10-6-7-11-17(16)21-18/h6-12H,4-5,13-14H2,1-3H3
InChIKeyZNASCIXPMAHBIP-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane?
The IUPAC name of butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane (CID 54555747) is butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane.
What is the SMILES notation for butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane?
The canonical SMILES for butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane is CCCC[Si](C)(C)OCc1cccc2sc3ccccc3c12.
What is the InChIKey of butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane?
The InChIKey is ZNASCIXPMAHBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24OSSi/c1-4-5-13-22(2,3)20-14-15-9-8-12-18-19(15)16-10-6-7-11-17(16)21-18/h6-12H,4-5,13-14H2,1-3H3.
What are the key properties of butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane?
butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane has a molecular weight of 328.55 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane is sourced from PubChem (CID 54555747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).