tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane

C20H43IO2Si2 — CID 58139633

IUPACtert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane
SMILESC/C(I)=C\[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H43IO2Si2/c1-16(15-17(2)21)18(23-25(11,12)20(6,7)8)13-14-22-24(9,10)19(3,4)5/h15-16,18H,13-14H2,1-12H3/b17-15+/t16-,18-/m0/s1
InChIKeyRKHZVSUDQOHNFY-YIBWVLRXSA-N
MW498.64 g/mol
LogP7.76
Rot. Bonds8

About tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane

tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane (PubChem CID 58139633) has the molecular formula C20H43IO2Si2 and a molecular weight of 498.64 g/mol. Its IUPAC name is tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane
PubChem CID58139633
Molecular FormulaC20H43IO2Si2
Molecular Weight498.64 g/mol
Exact Mass498.18
IUPAC Nametert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane
SMILESC/C(I)=C\[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H43IO2Si2/c1-16(15-17(2)21)18(23-25(11,12)20(6,7)8)13-14-22-24(9,10)19(3,4)5/h15-16,18H,13-14H2,1-12H3/b17-15+/t16-,18-/m0/s1
InChIKeyRKHZVSUDQOHNFY-YIBWVLRXSA-N
XLogP7.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.64
LogP ≤ 57.76
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,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane (CID 58139633) is tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane is C/C(I)=C\[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane?
The InChIKey is RKHZVSUDQOHNFY-YIBWVLRXSA-N. The full InChI is InChI=1S/C20H43IO2Si2/c1-16(15-17(2)21)18(23-25(11,12)20(6,7)8)13-14-22-24(9,10)19(3,4)5/h15-16,18H,13-14H2,1-12H3/b17-15+/t16-,18-/m0/s1.
What are the key properties of tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane?
tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane has a molecular weight of 498.64 g/mol, XLogP of 7.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane is sourced from PubChem (CID 58139633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).