tert-butyl-(4-chlorobutoxy)-diphenylsilane

C20H27ClOSi — CID 15067569

IUPACtert-butyl-(4-chlorobutoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27ClOSi/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,10-11,16-17H2,1-3H3
InChIKeyBORCZNOHJXRGCV-UHFFFAOYSA-N
MW346.97 g/mol
LogP4.58
Rot. Bonds7

About tert-butyl-(4-chlorobutoxy)-diphenylsilane

tert-butyl-(4-chlorobutoxy)-diphenylsilane (PubChem CID 15067569) has the molecular formula C20H27ClOSi and a molecular weight of 346.97 g/mol. Its IUPAC name is tert-butyl-(4-chlorobutoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(4-chlorobutoxy)-diphenylsilane
PubChem CID15067569
Molecular FormulaC20H27ClOSi
Molecular Weight346.97 g/mol
Exact Mass346.15
IUPAC Nametert-butyl-(4-chlorobutoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27ClOSi/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,10-11,16-17H2,1-3H3
InChIKeyBORCZNOHJXRGCV-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.97
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-chlorobutoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(4-chlorobutoxy)-diphenylsilane (CID 15067569) is tert-butyl-(4-chlorobutoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(4-chlorobutoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(4-chlorobutoxy)-diphenylsilane is CC(C)(C)[Si](OCCCCCl)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(4-chlorobutoxy)-diphenylsilane?
The InChIKey is BORCZNOHJXRGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClOSi/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,10-11,16-17H2,1-3H3.
What are the key properties of tert-butyl-(4-chlorobutoxy)-diphenylsilane?
tert-butyl-(4-chlorobutoxy)-diphenylsilane has a molecular weight of 346.97 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-chlorobutoxy)-diphenylsilane is sourced from PubChem (CID 15067569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).