2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate

C16H36O4Si2 — CID 20617076

IUPAC2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCCOCCOC(C)=O
InChIInChI=1S/C16H36O4Si2/c1-7-8-14-21(3,4)20-22(5,6)15-10-9-11-18-12-13-19-16(2)17/h7-15H2,1-6H3
InChIKeyZXRUTBNCACLRSH-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.57
Rot. Bonds13

About 2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate

2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate (PubChem CID 20617076) has the molecular formula C16H36O4Si2 and a molecular weight of 348.63 g/mol. Its IUPAC name is 2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate.

Molecular Properties

Compound Name2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate
PubChem CID20617076
Molecular FormulaC16H36O4Si2
Molecular Weight348.63 g/mol
Exact Mass348.22
IUPAC Name2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCCOCCOC(C)=O
InChIInChI=1S/C16H36O4Si2/c1-7-8-14-21(3,4)20-22(5,6)15-10-9-11-18-12-13-19-16(2)17/h7-15H2,1-6H3
InChIKeyZXRUTBNCACLRSH-UHFFFAOYSA-N
XLogP4.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate?
The IUPAC name of 2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate (CID 20617076) is 2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate.
What is the SMILES notation for 2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate?
The canonical SMILES for 2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate is CCCC[Si](C)(C)O[Si](C)(C)CCCCOCCOC(C)=O.
What is the InChIKey of 2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate?
The InChIKey is ZXRUTBNCACLRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O4Si2/c1-7-8-14-21(3,4)20-22(5,6)15-10-9-11-18-12-13-19-16(2)17/h7-15H2,1-6H3.
What are the key properties of 2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate?
2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate has a molecular weight of 348.63 g/mol, XLogP of 4.57, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate is sourced from PubChem (CID 20617076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).