tert-butyl-(5-iodopentoxy)-diphenylsilane

C21H29IOSi — CID 10003991

IUPACtert-butyl-(5-iodopentoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCI)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29IOSi/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
InChIKeyWOSHAIRRTNINNZ-UHFFFAOYSA-N
MW452.45 g/mol
LogP5.17
Rot. Bonds8

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

tert-butyl-(5-iodopentoxy)-diphenylsilane (PubChem CID 10003991) has the molecular formula C21H29IOSi and a molecular weight of 452.45 g/mol. Its IUPAC name is tert-butyl-(5-iodopentoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(5-iodopentoxy)-diphenylsilane
PubChem CID10003991
Molecular FormulaC21H29IOSi
Molecular Weight452.45 g/mol
Exact Mass452.10
IUPAC Nametert-butyl-(5-iodopentoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCI)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29IOSi/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
InChIKeyWOSHAIRRTNINNZ-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.45
LogP ≤ 55.17
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
tert-butyl-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-diphenylsilane
CID 68632670
tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane
CID 11016054

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-iodopentoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(5-iodopentoxy)-diphenylsilane (CID 10003991) is tert-butyl-(5-iodopentoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(5-iodopentoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(5-iodopentoxy)-diphenylsilane is CC(C)(C)[Si](OCCCCCI)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(5-iodopentoxy)-diphenylsilane?
The InChIKey is WOSHAIRRTNINNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29IOSi/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-iodopentoxy)-diphenylsilane?
tert-butyl-(5-iodopentoxy)-diphenylsilane has a molecular weight of 452.45 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-iodopentoxy)-diphenylsilane is sourced from PubChem (CID 10003991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).