tert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane

C23H49IO2Si2 — CID 71762535

IUPACtert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane
SMILESC/C(I)=C\[C@H](C)[C@@H](CC[C@@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H49IO2Si2/c1-18(17-25-27(10,11)22(4,5)6)14-15-21(19(2)16-20(3)24)26-28(12,13)23(7,8)9/h16,18-19,21H,14-15,17H2,1-13H3/b20-16+/t18-,19+,21-/m1/s1
InChIKeyYYNXBZAHHUJZRT-UXBJVNAJSA-N
MW540.72 g/mol
LogP8.79
Rot. Bonds10

About tert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane

tert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane (PubChem CID 71762535) has the molecular formula C23H49IO2Si2 and a molecular weight of 540.72 g/mol. Its IUPAC name is tert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane
PubChem CID71762535
Molecular FormulaC23H49IO2Si2
Molecular Weight540.72 g/mol
Exact Mass540.23
IUPAC Nametert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane
SMILESC/C(I)=C\[C@H](C)[C@@H](CC[C@@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H49IO2Si2/c1-18(17-25-27(10,11)22(4,5)6)14-15-21(19(2)16-20(3)24)26-28(12,13)23(7,8)9/h16,18-19,21H,14-15,17H2,1-13H3/b20-16+/t18-,19+,21-/m1/s1
InChIKeyYYNXBZAHHUJZRT-UXBJVNAJSA-N
XLogP8.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.72
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane (CID 71762535) is tert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane is C/C(I)=C\[C@H](C)[C@@H](CC[C@@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane?
The InChIKey is YYNXBZAHHUJZRT-UXBJVNAJSA-N. The full InChI is InChI=1S/C23H49IO2Si2/c1-18(17-25-27(10,11)22(4,5)6)14-15-21(19(2)16-20(3)24)26-28(12,13)23(7,8)9/h16,18-19,21H,14-15,17H2,1-13H3/b20-16+/t18-,19+,21-/m1/s1.
What are the key properties of tert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane?
tert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane has a molecular weight of 540.72 g/mol, XLogP of 8.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enoxy]-dimethylsilane is sourced from PubChem (CID 71762535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).