tert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane

C20H44O2Si2 — CID 11122276

IUPACtert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane
SMILESC/C=C/[C@@H](C)[C@H](O[Si](C)(C)C)[C@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O2Si2/c1-13-15-16(3)19(22-23(8,9)10)17(4)18(14-2)21-24(11,12)20(5,6)7/h13,15-19H,14H2,1-12H3/b15-13+/t16-,17-,18+,19+/m1/s1
InChIKeyUPUFQTNNRPFQJS-GKXUBIEFSA-N
MW372.74 g/mol
LogP6.86
Rot. Bonds9

About tert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane

tert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane (PubChem CID 11122276) has the molecular formula C20H44O2Si2 and a molecular weight of 372.74 g/mol. Its IUPAC name is tert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane
PubChem CID11122276
Molecular FormulaC20H44O2Si2
Molecular Weight372.74 g/mol
Exact Mass372.29
IUPAC Nametert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane
SMILESC/C=C/[C@@H](C)[C@H](O[Si](C)(C)C)[C@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O2Si2/c1-13-15-16(3)19(22-23(8,9)10)17(4)18(14-2)21-24(11,12)20(5,6)7/h13,15-19H,14H2,1-12H3/b15-13+/t16-,17-,18+,19+/m1/s1
InChIKeyUPUFQTNNRPFQJS-GKXUBIEFSA-N
XLogP6.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.74
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane (CID 11122276) is tert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane is C/C=C/[C@@H](C)[C@H](O[Si](C)(C)C)[C@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane?
The InChIKey is UPUFQTNNRPFQJS-GKXUBIEFSA-N. The full InChI is InChI=1S/C20H44O2Si2/c1-13-15-16(3)19(22-23(8,9)10)17(4)18(14-2)21-24(11,12)20(5,6)7/h13,15-19H,14H2,1-12H3/b15-13+/t16-,17-,18+,19+/m1/s1.
What are the key properties of tert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane?
tert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane has a molecular weight of 372.74 g/mol, XLogP of 6.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane is sourced from PubChem (CID 11122276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).