2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one

C16H34O3Si2 — CID 101175591

IUPAC2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one
SMILESCCC(CC)C(=O)[Si](C)(C)O[Si](C)(C)C(=O)C(CC)CC
InChIInChI=1S/C16H34O3Si2/c1-9-13(10-2)15(17)20(5,6)19-21(7,8)16(18)14(11-3)12-4/h13-14H,9-12H2,1-8H3
InChIKeyQAGBLXMDYROPFJ-UHFFFAOYSA-N
MW330.62 g/mol
LogP4.50
Rot. Bonds10

About 2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one

2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one (PubChem CID 101175591) has the molecular formula C16H34O3Si2 and a molecular weight of 330.62 g/mol. Its IUPAC name is 2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one
PubChem CID101175591
Molecular FormulaC16H34O3Si2
Molecular Weight330.62 g/mol
Exact Mass330.20
IUPAC Name2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one
SMILESCCC(CC)C(=O)[Si](C)(C)O[Si](C)(C)C(=O)C(CC)CC
InChIInChI=1S/C16H34O3Si2/c1-9-13(10-2)15(17)20(5,6)19-21(7,8)16(18)14(11-3)12-4/h13-14H,9-12H2,1-8H3
InChIKeyQAGBLXMDYROPFJ-UHFFFAOYSA-N
XLogP4.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.62
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one?
The IUPAC name of 2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one (CID 101175591) is 2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one is CCC(CC)C(=O)[Si](C)(C)O[Si](C)(C)C(=O)C(CC)CC.
What is the InChIKey of 2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one?
The InChIKey is QAGBLXMDYROPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si2/c1-9-13(10-2)15(17)20(5,6)19-21(7,8)16(18)14(11-3)12-4/h13-14H,9-12H2,1-8H3.
What are the key properties of 2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one?
2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one has a molecular weight of 330.62 g/mol, XLogP of 4.50, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one is sourced from PubChem (CID 101175591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).