tert-butyl-(5-chloropentoxy)-diphenylsilane

C21H29ClOSi — CID 59404614

IUPACtert-butyl-(5-chloropentoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29ClOSi/c1-21(2,3)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)23-18-12-6-11-17-22/h4-5,7-10,13-16H,6,11-12,17-18H2,1-3H3
InChIKeyDAYPZRZOPMTIQY-UHFFFAOYSA-N
MW361.00 g/mol
LogP4.97
Rot. Bonds8

About tert-butyl-(5-chloropentoxy)-diphenylsilane

tert-butyl-(5-chloropentoxy)-diphenylsilane (PubChem CID 59404614) has the molecular formula C21H29ClOSi and a molecular weight of 361.00 g/mol. Its IUPAC name is tert-butyl-(5-chloropentoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(5-chloropentoxy)-diphenylsilane
PubChem CID59404614
Molecular FormulaC21H29ClOSi
Molecular Weight361.00 g/mol
Exact Mass360.17
IUPAC Nametert-butyl-(5-chloropentoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29ClOSi/c1-21(2,3)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)23-18-12-6-11-17-22/h4-5,7-10,13-16H,6,11-12,17-18H2,1-3H3
InChIKeyDAYPZRZOPMTIQY-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.00
LogP ≤ 54.97
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-(5-chloropentoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(5-chloropentoxy)-diphenylsilane (CID 59404614) is tert-butyl-(5-chloropentoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(5-chloropentoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(5-chloropentoxy)-diphenylsilane is CC(C)(C)[Si](OCCCCCCl)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(5-chloropentoxy)-diphenylsilane?
The InChIKey is DAYPZRZOPMTIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClOSi/c1-21(2,3)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)23-18-12-6-11-17-22/h4-5,7-10,13-16H,6,11-12,17-18H2,1-3H3.
What are the key properties of tert-butyl-(5-chloropentoxy)-diphenylsilane?
tert-butyl-(5-chloropentoxy)-diphenylsilane has a molecular weight of 361.00 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-chloropentoxy)-diphenylsilane is sourced from PubChem (CID 59404614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).