tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane

C17H39IO2Si2 — CID 135034832

IUPACtert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H39IO2Si2/c1-16(2,3)21(7,8)19-14-12-15(11-13-18)20-22(9,10)17(4,5)6/h15H,11-14H2,1-10H3/t15-/m1/s1
InChIKeyFNAQCGMFPZYKBN-OAHLLOKOSA-N
MW458.57 g/mol
LogP6.61
Rot. Bonds8

About tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane (PubChem CID 135034832) has the molecular formula C17H39IO2Si2 and a molecular weight of 458.57 g/mol. Its IUPAC name is tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane
PubChem CID135034832
Molecular FormulaC17H39IO2Si2
Molecular Weight458.57 g/mol
Exact Mass458.15
IUPAC Nametert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H39IO2Si2/c1-16(2,3)21(7,8)19-14-12-15(11-13-18)20-22(9,10)17(4,5)6/h15H,11-14H2,1-10H3/t15-/m1/s1
InChIKeyFNAQCGMFPZYKBN-OAHLLOKOSA-N
XLogP6.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.57
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane (CID 135034832) is tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OCC[C@@H](CCI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane?
The InChIKey is FNAQCGMFPZYKBN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H39IO2Si2/c1-16(2,3)21(7,8)19-14-12-15(11-13-18)20-22(9,10)17(4,5)6/h15H,11-14H2,1-10H3/t15-/m1/s1.
What are the key properties of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane has a molecular weight of 458.57 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 135034832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).