tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane

C17H36O2Si2 — CID 85169731

IUPACtert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane
SMILESC=C(C=CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si2/c1-15(19-21(10,11)17(5,6)7)13-12-14-18-20(8,9)16(2,3)4/h12-13H,1,14H2,2-11H3
InChIKeyNCCZNUXPYZUGAO-UHFFFAOYSA-N
MW328.65 g/mol
LogP6.10
Rot. Bonds6

About tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane

tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane (PubChem CID 85169731) has the molecular formula C17H36O2Si2 and a molecular weight of 328.65 g/mol. Its IUPAC name is tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane
PubChem CID85169731
Molecular FormulaC17H36O2Si2
Molecular Weight328.65 g/mol
Exact Mass328.23
IUPAC Nametert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane
SMILESC=C(C=CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si2/c1-15(19-21(10,11)17(5,6)7)13-12-14-18-20(8,9)16(2,3)4/h12-13H,1,14H2,2-11H3
InChIKeyNCCZNUXPYZUGAO-UHFFFAOYSA-N
XLogP6.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.65
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane (CID 85169731) is tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane is C=C(C=CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane?
The InChIKey is NCCZNUXPYZUGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si2/c1-15(19-21(10,11)17(5,6)7)13-12-14-18-20(8,9)16(2,3)4/h12-13H,1,14H2,2-11H3.
What are the key properties of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane?
tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane has a molecular weight of 328.65 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane is sourced from PubChem (CID 85169731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).