tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane

C22H46O4Si2 — CID 10574692

IUPACtert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane
SMILESC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C22H46O4Si2/c1-13-15-20(26-28(11,12)22(5,6)7)19(24-18-23-8)16-14-17-25-27(9,10)21(2,3)4/h13-16,19-20H,17-18H2,1-12H3/b15-13+,16-14+/t19-,20+/m0/s1
InChIKeyFQYDIDNMUNOVBW-GWSMZIFCSA-N
MW430.78 g/mol
LogP6.52
Rot. Bonds11

About tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane

tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane (PubChem CID 10574692) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane
PubChem CID10574692
Molecular FormulaC22H46O4Si2
Molecular Weight430.78 g/mol
Exact Mass430.29
IUPAC Nametert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane
SMILESC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C22H46O4Si2/c1-13-15-20(26-28(11,12)22(5,6)7)19(24-18-23-8)16-14-17-25-27(9,10)21(2,3)4/h13-16,19-20H,17-18H2,1-12H3/b15-13+,16-14+/t19-,20+/m0/s1
InChIKeyFQYDIDNMUNOVBW-GWSMZIFCSA-N
XLogP6.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.78
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane (CID 10574692) is tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane is C/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane?
The InChIKey is FQYDIDNMUNOVBW-GWSMZIFCSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-13-15-20(26-28(11,12)22(5,6)7)19(24-18-23-8)16-14-17-25-27(9,10)21(2,3)4/h13-16,19-20H,17-18H2,1-12H3/b15-13+,16-14+/t19-,20+/m0/s1.
What are the key properties of tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane?
tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane has a molecular weight of 430.78 g/mol, XLogP of 6.52, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 10574692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).