tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane

C44H90O8Si4 — CID 10533620

IUPACtert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](/C=C/CCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C44H90O8Si4/c1-43(2,3)55(13,14)49-29-21-17-19-23-37(47-35-45-31-33-53(7,8)9)39-25-27-41(51-39)42-28-26-40(52-42)38(48-36-46-32-34-54(10,11)12)24-20-18-22-30-50-56(15,16)44(4,5)6/h19-20,23-24,37-42H,17-18,21-22,25-36H2,1-16H3/b23-19+,24-20+/t37-,38-,39-,40-,41-,42-/m1/s1
InChIKeyXDDZMTHRIGIBIC-VBVJUWOXSA-N
MW859.54 g/mol
LogP12.19
Rot. Bonds27

About tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane

tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane (PubChem CID 10533620) has the molecular formula C44H90O8Si4 and a molecular weight of 859.54 g/mol. Its IUPAC name is tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane
PubChem CID10533620
Molecular FormulaC44H90O8Si4
Molecular Weight859.54 g/mol
Exact Mass858.57
IUPAC Nametert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](/C=C/CCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C44H90O8Si4/c1-43(2,3)55(13,14)49-29-21-17-19-23-37(47-35-45-31-33-53(7,8)9)39-25-27-41(51-39)42-28-26-40(52-42)38(48-36-46-32-34-54(10,11)12)24-20-18-22-30-50-56(15,16)44(4,5)6/h19-20,23-24,37-42H,17-18,21-22,25-36H2,1-16H3/b23-19+,24-20+/t37-,38-,39-,40-,41-,42-/m1/s1
InChIKeyXDDZMTHRIGIBIC-VBVJUWOXSA-N
XLogP12.19
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.54
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane (CID 10533620) is tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC/C=C/[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](/C=C/CCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)O2)O1.
What is the InChIKey of tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane?
The InChIKey is XDDZMTHRIGIBIC-VBVJUWOXSA-N. The full InChI is InChI=1S/C44H90O8Si4/c1-43(2,3)55(13,14)49-29-21-17-19-23-37(47-35-45-31-33-53(7,8)9)39-25-27-41(51-39)42-28-26-40(52-42)38(48-36-46-32-34-54(10,11)12)24-20-18-22-30-50-56(15,16)44(4,5)6/h19-20,23-24,37-42H,17-18,21-22,25-36H2,1-16H3/b23-19+,24-20+/t37-,38-,39-,40-,41-,42-/m1/s1.
What are the key properties of tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane?
tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane has a molecular weight of 859.54 g/mol, XLogP of 12.19, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane is sourced from PubChem (CID 10533620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).