tert-butyl-(3,3-diethoxybutoxy)-dimethylsilane

C14H32O3Si — CID 11011273

IUPACtert-butyl-(3,3-diethoxybutoxy)-dimethylsilane
SMILESCCOC(C)(CCO[Si](C)(C)C(C)(C)C)OCC
InChIInChI=1S/C14H32O3Si/c1-9-15-14(6,16-10-2)11-12-17-18(7,8)13(3,4)5/h9-12H2,1-8H3
InChIKeyWRLDMSPMQMGFIP-UHFFFAOYSA-N
MW276.49 g/mol
LogP4.19
Rot. Bonds8

About tert-butyl-(3,3-diethoxybutoxy)-dimethylsilane

tert-butyl-(3,3-diethoxybutoxy)-dimethylsilane (PubChem CID 11011273) has the molecular formula C14H32O3Si and a molecular weight of 276.49 g/mol. Its IUPAC name is tert-butyl-(3,3-diethoxybutoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3,3-diethoxybutoxy)-dimethylsilane
PubChem CID11011273
Molecular FormulaC14H32O3Si
Molecular Weight276.49 g/mol
Exact Mass276.21
IUPAC Nametert-butyl-(3,3-diethoxybutoxy)-dimethylsilane
SMILESCCOC(C)(CCO[Si](C)(C)C(C)(C)C)OCC
InChIInChI=1S/C14H32O3Si/c1-9-15-14(6,16-10-2)11-12-17-18(7,8)13(3,4)5/h9-12H2,1-8H3
InChIKeyWRLDMSPMQMGFIP-UHFFFAOYSA-N
XLogP4.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(3,3-diethoxybutoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3,3-diethoxybutoxy)-dimethylsilane (CID 11011273) is tert-butyl-(3,3-diethoxybutoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3,3-diethoxybutoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3,3-diethoxybutoxy)-dimethylsilane is CCOC(C)(CCO[Si](C)(C)C(C)(C)C)OCC.
What is the InChIKey of tert-butyl-(3,3-diethoxybutoxy)-dimethylsilane?
The InChIKey is WRLDMSPMQMGFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O3Si/c1-9-15-14(6,16-10-2)11-12-17-18(7,8)13(3,4)5/h9-12H2,1-8H3.
What are the key properties of tert-butyl-(3,3-diethoxybutoxy)-dimethylsilane?
tert-butyl-(3,3-diethoxybutoxy)-dimethylsilane has a molecular weight of 276.49 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,3-diethoxybutoxy)-dimethylsilane is sourced from PubChem (CID 11011273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).