tert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane

C25H54O4Si2 — CID 25257854

IUPACtert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane
SMILESCOCOCC[C@H](C)CC(C/C(C)=C\CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O4Si2/c1-21(14-16-27-20-26-9)18-23(29-31(12,13)25(6,7)8)19-22(2)15-17-28-30(10,11)24(3,4)5/h15,21,23H,14,16-20H2,1-13H3/b22-15-/t21-,23?/m0/s1
InChIKeyGZIYXASUOKYRNJ-QVXQMIMTSA-N
MW474.88 g/mol
LogP7.77
Rot. Bonds14

About tert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane

tert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane (PubChem CID 25257854) has the molecular formula C25H54O4Si2 and a molecular weight of 474.88 g/mol. Its IUPAC name is tert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane
PubChem CID25257854
Molecular FormulaC25H54O4Si2
Molecular Weight474.88 g/mol
Exact Mass474.36
IUPAC Nametert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane
SMILESCOCOCC[C@H](C)CC(C/C(C)=C\CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O4Si2/c1-21(14-16-27-20-26-9)18-23(29-31(12,13)25(6,7)8)19-22(2)15-17-28-30(10,11)24(3,4)5/h15,21,23H,14,16-20H2,1-13H3/b22-15-/t21-,23?/m0/s1
InChIKeyGZIYXASUOKYRNJ-QVXQMIMTSA-N
XLogP7.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.88
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane (CID 25257854) is tert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane is COCOCC[C@H](C)CC(C/C(C)=C\CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane?
The InChIKey is GZIYXASUOKYRNJ-QVXQMIMTSA-N. The full InChI is InChI=1S/C25H54O4Si2/c1-21(14-16-27-20-26-9)18-23(29-31(12,13)25(6,7)8)19-22(2)15-17-28-30(10,11)24(3,4)5/h15,21,23H,14,16-20H2,1-13H3/b22-15-/t21-,23?/m0/s1.
What are the key properties of tert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane?
tert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane has a molecular weight of 474.88 g/mol, XLogP of 7.77, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,7S)-5-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-3,7-dimethylnon-2-enoxy]-dimethylsilane is sourced from PubChem (CID 25257854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).