tert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane

C12H28O3Si — CID 101016626

IUPACtert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane
SMILESCOCOCCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-11(8-9-14-10-13-5)15-16(6,7)12(2,3)4/h11H,8-10H2,1-7H3
InChIKeyXRQURWPIJOJGGN-UHFFFAOYSA-N
MW248.44 g/mol
LogP3.41
Rot. Bonds7

About tert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane

tert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane (PubChem CID 101016626) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is tert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane
PubChem CID101016626
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Nametert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane
SMILESCOCOCCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-11(8-9-14-10-13-5)15-16(6,7)12(2,3)4/h11H,8-10H2,1-7H3
InChIKeyXRQURWPIJOJGGN-UHFFFAOYSA-N
XLogP3.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane (CID 101016626) is tert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane is COCOCCC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane?
The InChIKey is XRQURWPIJOJGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si/c1-11(8-9-14-10-13-5)15-16(6,7)12(2,3)4/h11H,8-10H2,1-7H3.
What are the key properties of tert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane?
tert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane has a molecular weight of 248.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(methoxymethoxy)butan-2-yloxy]-dimethylsilane is sourced from PubChem (CID 101016626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).