tert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane

C16H34FIOSi — CID 139650854

IUPACtert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane
SMILESCCCC[C@H](C)C[C@H](O[Si](C)(C)C(C)(C)C)C(F)CI
InChIInChI=1S/C16H34FIOSi/c1-8-9-10-13(2)11-15(14(17)12-18)19-20(6,7)16(3,4)5/h13-15H,8-12H2,1-7H3/t13-,14?,15-/m0/s1
InChIKeyBYLOHIUVYXVKDR-LWEDLAQUSA-N
MW416.44 g/mol
LogP6.37
Rot. Bonds9

About tert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane (PubChem CID 139650854) has the molecular formula C16H34FIOSi and a molecular weight of 416.44 g/mol. Its IUPAC name is tert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane
PubChem CID139650854
Molecular FormulaC16H34FIOSi
Molecular Weight416.44 g/mol
Exact Mass416.14
IUPAC Nametert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane
SMILESCCCC[C@H](C)C[C@H](O[Si](C)(C)C(C)(C)C)C(F)CI
InChIInChI=1S/C16H34FIOSi/c1-8-9-10-13(2)11-15(14(17)12-18)19-20(6,7)16(3,4)5/h13-15H,8-12H2,1-7H3/t13-,14?,15-/m0/s1
InChIKeyBYLOHIUVYXVKDR-LWEDLAQUSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 56.37
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane (CID 139650854) is tert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane is CCCC[C@H](C)C[C@H](O[Si](C)(C)C(C)(C)C)C(F)CI.
What is the InChIKey of tert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane?
The InChIKey is BYLOHIUVYXVKDR-LWEDLAQUSA-N. The full InChI is InChI=1S/C16H34FIOSi/c1-8-9-10-13(2)11-15(14(17)12-18)19-20(6,7)16(3,4)5/h13-15H,8-12H2,1-7H3/t13-,14?,15-/m0/s1.
What are the key properties of tert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane has a molecular weight of 416.44 g/mol, XLogP of 6.37, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,5S)-2-fluoro-1-iodo-5-methylnonan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 139650854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).