2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one

C17H36O4Si — CID 87758097

IUPAC2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one
SMILESCCCC(CC)CC(=O)C(C)O[Si](CCC)(OCC)OCC
InChIInChI=1S/C17H36O4Si/c1-7-12-16(9-3)14-17(18)15(6)21-22(13-8-2,19-10-4)20-11-5/h15-16H,7-14H2,1-6H3
InChIKeyVEYRSSKDMDYISS-UHFFFAOYSA-N
MW332.56 g/mol
LogP4.60
Rot. Bonds14

About 2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one

2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one (PubChem CID 87758097) has the molecular formula C17H36O4Si and a molecular weight of 332.56 g/mol. Its IUPAC name is 2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one.

Molecular Properties

Compound Name2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one
PubChem CID87758097
Molecular FormulaC17H36O4Si
Molecular Weight332.56 g/mol
Exact Mass332.24
IUPAC Name2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one
SMILESCCCC(CC)CC(=O)C(C)O[Si](CCC)(OCC)OCC
InChIInChI=1S/C17H36O4Si/c1-7-12-16(9-3)14-17(18)15(6)21-22(13-8-2,19-10-4)20-11-5/h15-16H,7-14H2,1-6H3
InChIKeyVEYRSSKDMDYISS-UHFFFAOYSA-N
XLogP4.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one?
The IUPAC name of 2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one (CID 87758097) is 2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one.
What is the SMILES notation for 2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one?
The canonical SMILES for 2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one is CCCC(CC)CC(=O)C(C)O[Si](CCC)(OCC)OCC.
What is the InChIKey of 2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one?
The InChIKey is VEYRSSKDMDYISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si/c1-7-12-16(9-3)14-17(18)15(6)21-22(13-8-2,19-10-4)20-11-5/h15-16H,7-14H2,1-6H3.
What are the key properties of 2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one?
2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one has a molecular weight of 332.56 g/mol, XLogP of 4.60, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxy(propyl)silyl]oxy-5-ethyloctan-3-one is sourced from PubChem (CID 87758097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).