triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate

C17H38O3Si2 — CID 86039083

IUPACtriethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate
SMILESCCO[Si](C)(C)C(C)CC(C)(C)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C17H38O3Si2/c1-10-19-21(8,9)15(5)14-17(6,7)16(18)20-22(11-2,12-3)13-4/h15H,10-14H2,1-9H3
InChIKeyTUUSETJPICZICF-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.58
Rot. Bonds10

About triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate

triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate (PubChem CID 86039083) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate.

Molecular Properties

Compound Nametriethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate
PubChem CID86039083
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Nametriethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate
SMILESCCO[Si](C)(C)C(C)CC(C)(C)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C17H38O3Si2/c1-10-19-21(8,9)15(5)14-17(6,7)16(18)20-22(11-2,12-3)13-4/h15H,10-14H2,1-9H3
InChIKeyTUUSETJPICZICF-UHFFFAOYSA-N
XLogP5.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.58
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 triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate?
The IUPAC name of triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate (CID 86039083) is triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate.
What is the SMILES notation for triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate?
The canonical SMILES for triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate is CCO[Si](C)(C)C(C)CC(C)(C)C(=O)O[Si](CC)(CC)CC.
What is the InChIKey of triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate?
The InChIKey is TUUSETJPICZICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-10-19-21(8,9)15(5)14-17(6,7)16(18)20-22(11-2,12-3)13-4/h15H,10-14H2,1-9H3.
What are the key properties of triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate?
triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate has a molecular weight of 346.66 g/mol, XLogP of 5.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate is sourced from PubChem (CID 86039083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).