tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane

C21H41IO2Si2 — CID 44604041

IUPACtert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane
SMILESC#C/C=C(\I)C(CCCCO[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H41IO2Si2/c1-10-16-19(22)20(24-26(11-2,12-3)13-4)17-14-15-18-23-25(8,9)21(5,6)7/h1,16,20H,11-15,17-18H2,2-9H3/b19-16-
InChIKeyVBDABFDJDVYOFC-MNDPQUGUSA-N
MW508.63 g/mol
LogP7.52
Rot. Bonds12

About tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane

tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane (PubChem CID 44604041) has the molecular formula C21H41IO2Si2 and a molecular weight of 508.63 g/mol. Its IUPAC name is tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane
PubChem CID44604041
Molecular FormulaC21H41IO2Si2
Molecular Weight508.63 g/mol
Exact Mass508.17
IUPAC Nametert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane
SMILESC#C/C=C(\I)C(CCCCO[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H41IO2Si2/c1-10-16-19(22)20(24-26(11-2,12-3)13-4)17-14-15-18-23-25(8,9)21(5,6)7/h1,16,20H,11-15,17-18H2,2-9H3/b19-16-
InChIKeyVBDABFDJDVYOFC-MNDPQUGUSA-N
XLogP7.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal
CID 44604040
tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane
CID 134960246
(Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol
CID 11058731
tert-butyl-[(Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodohept-4-en-6-ynoxy]-dimethylsilane
CID 49794272
tert-butyl-[(6Z,9R,10E)-9-[tert-butyl(dimethyl)silyl]oxy-11-iodoundeca-6,10-dienoxy]-dimethylsilane
CID 177619947

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane (CID 44604041) is tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane is C#C/C=C(\I)C(CCCCO[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane?
The InChIKey is VBDABFDJDVYOFC-MNDPQUGUSA-N. The full InChI is InChI=1S/C21H41IO2Si2/c1-10-16-19(22)20(24-26(11-2,12-3)13-4)17-14-15-18-23-25(8,9)21(5,6)7/h1,16,20H,11-15,17-18H2,2-9H3/b19-16-.
What are the key properties of tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane?
tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane has a molecular weight of 508.63 g/mol, XLogP of 7.52, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane is sourced from PubChem (CID 44604041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).