tert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane

C26H31ClOSi — CID 135028957

IUPACtert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCC(Cl)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31ClOSi/c1-26(2,3)29(23-16-9-5-10-17-23,24-18-11-6-12-19-24)28-21-13-20-25(27)22-14-7-4-8-15-22/h4-12,14-19,25H,13,20-21H2,1-3H3
InChIKeyKJJFTZKZBYXJNN-UHFFFAOYSA-N
MW423.07 g/mol
LogP6.32
Rot. Bonds8

About tert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane

tert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane (PubChem CID 135028957) has the molecular formula C26H31ClOSi and a molecular weight of 423.07 g/mol. Its IUPAC name is tert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane
PubChem CID135028957
Molecular FormulaC26H31ClOSi
Molecular Weight423.07 g/mol
Exact Mass422.18
IUPAC Nametert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCC(Cl)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31ClOSi/c1-26(2,3)29(23-16-9-5-10-17-23,24-18-11-6-12-19-24)28-21-13-20-25(27)22-14-7-4-8-15-22/h4-12,14-19,25H,13,20-21H2,1-3H3
InChIKeyKJJFTZKZBYXJNN-UHFFFAOYSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.07
LogP ≤ 56.32
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-chloro-4-phenylbutoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane (CID 135028957) is tert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane is CC(C)(C)[Si](OCCCC(Cl)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane?
The InChIKey is KJJFTZKZBYXJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClOSi/c1-26(2,3)29(23-16-9-5-10-17-23,24-18-11-6-12-19-24)28-21-13-20-25(27)22-14-7-4-8-15-22/h4-12,14-19,25H,13,20-21H2,1-3H3.
What are the key properties of tert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane?
tert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane has a molecular weight of 423.07 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane is sourced from PubChem (CID 135028957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).