tert-butyl-naphthalen-1-yloxy-diphenylsilane

C26H26OSi — CID 140988451

IUPACtert-butyl-naphthalen-1-yloxy-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26OSi/c1-26(2,3)28(22-15-6-4-7-16-22,23-17-8-5-9-18-23)27-25-20-12-14-21-13-10-11-19-24(21)25/h4-20H,1-3H3
InChIKeySSKOCXPPVGZQDL-UHFFFAOYSA-N
MW382.58 g/mol
LogP5.78
Rot. Bonds4

About tert-butyl-naphthalen-1-yloxy-diphenylsilane

tert-butyl-naphthalen-1-yloxy-diphenylsilane (PubChem CID 140988451) has the molecular formula C26H26OSi and a molecular weight of 382.58 g/mol. Its IUPAC name is tert-butyl-naphthalen-1-yloxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-naphthalen-1-yloxy-diphenylsilane
PubChem CID140988451
Molecular FormulaC26H26OSi
Molecular Weight382.58 g/mol
Exact Mass382.18
IUPAC Nametert-butyl-naphthalen-1-yloxy-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26OSi/c1-26(2,3)28(22-15-6-4-7-16-22,23-17-8-5-9-18-23)27-25-20-12-14-21-13-10-11-19-24(21)25/h4-20H,1-3H3
InChIKeySSKOCXPPVGZQDL-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.58
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-naphthalen-1-yloxy-diphenylsilane?
The IUPAC name of tert-butyl-naphthalen-1-yloxy-diphenylsilane (CID 140988451) is tert-butyl-naphthalen-1-yloxy-diphenylsilane.
What is the SMILES notation for tert-butyl-naphthalen-1-yloxy-diphenylsilane?
The canonical SMILES for tert-butyl-naphthalen-1-yloxy-diphenylsilane is CC(C)(C)[Si](Oc1cccc2ccccc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-naphthalen-1-yloxy-diphenylsilane?
The InChIKey is SSKOCXPPVGZQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26OSi/c1-26(2,3)28(22-15-6-4-7-16-22,23-17-8-5-9-18-23)27-25-20-12-14-21-13-10-11-19-24(21)25/h4-20H,1-3H3.
What are the key properties of tert-butyl-naphthalen-1-yloxy-diphenylsilane?
tert-butyl-naphthalen-1-yloxy-diphenylsilane has a molecular weight of 382.58 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-naphthalen-1-yloxy-diphenylsilane is sourced from PubChem (CID 140988451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).