tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane

C21H29IOSi — CID 11080903

IUPACtert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane
SMILESCCC(CCI)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H29IOSi/c1-5-18(16-17-22)23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18H,5,16-17H2,1-4H3
InChIKeyWMXKRDRUGCDUNV-UHFFFAOYSA-N
MW452.45 g/mol
LogP5.17
Rot. Bonds7

About tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane

tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane (PubChem CID 11080903) has the molecular formula C21H29IOSi and a molecular weight of 452.45 g/mol. Its IUPAC name is tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane
PubChem CID11080903
Molecular FormulaC21H29IOSi
Molecular Weight452.45 g/mol
Exact Mass452.10
IUPAC Nametert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane
SMILESCCC(CCI)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H29IOSi/c1-5-18(16-17-22)23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18H,5,16-17H2,1-4H3
InChIKeyWMXKRDRUGCDUNV-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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': '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-pentan-3-yloxy-diphenylsilane
CID 58776136
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-6-iodohexanoic acid
CID 134940913
(Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol
CID 153316540
tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane
CID 25001335
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
tert-butyl-[(2Z,7Z)-nona-2,7-dien-5-yl]oxy-diphenylsilane
CID 58139640
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane?
The IUPAC name of tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane (CID 11080903) is tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane is CCC(CCI)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane?
The InChIKey is WMXKRDRUGCDUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29IOSi/c1-5-18(16-17-22)23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18H,5,16-17H2,1-4H3.
What are the key properties of tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane?
tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane has a molecular weight of 452.45 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane is sourced from PubChem (CID 11080903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).