tert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane

C24H52O2Si2 — CID 76590827

IUPACtert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)CCCC(C)C=CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52O2Si2/c1-12-28(13-2,14-3)26-24(8,9)20-17-19-22(4)18-15-16-21-25-27(10,11)23(5,6)7/h15,18,22H,12-14,16-17,19-21H2,1-11H3
InChIKeyPWSNKYJQLGOHEL-UHFFFAOYSA-N
MW428.85 g/mol
LogP8.56
Rot. Bonds14

About tert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane

tert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane (PubChem CID 76590827) has the molecular formula C24H52O2Si2 and a molecular weight of 428.85 g/mol. Its IUPAC name is tert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane
PubChem CID76590827
Molecular FormulaC24H52O2Si2
Molecular Weight428.85 g/mol
Exact Mass428.35
IUPAC Nametert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)CCCC(C)C=CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52O2Si2/c1-12-28(13-2,14-3)26-24(8,9)20-17-19-22(4)18-15-16-21-25-27(10,11)23(5,6)7/h15,18,22H,12-14,16-17,19-21H2,1-11H3
InChIKeyPWSNKYJQLGOHEL-UHFFFAOYSA-N
XLogP8.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.85
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane (CID 76590827) is tert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane is CC[Si](CC)(CC)OC(C)(C)CCCC(C)C=CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane?
The InChIKey is PWSNKYJQLGOHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O2Si2/c1-12-28(13-2,14-3)26-24(8,9)20-17-19-22(4)18-15-16-21-25-27(10,11)23(5,6)7/h15,18,22H,12-14,16-17,19-21H2,1-11H3.
What are the key properties of tert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane?
tert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane has a molecular weight of 428.85 g/mol, XLogP of 8.56, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5,9-dimethyl-9-triethylsilyloxydec-3-enoxy)-dimethylsilane is sourced from PubChem (CID 76590827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).