4-triethylsilyloxan-3-one

C11H22O2Si — CID 171360011

IUPAC4-triethylsilyloxan-3-one
SMILESCC[Si](CC)(CC)C1CCOCC1=O
InChIInChI=1S/C11H22O2Si/c1-4-14(5-2,6-3)11-7-8-13-9-10(11)12/h11H,4-9H2,1-3H3
InChIKeyRLJIJFFQDYQBRU-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.85
Rot. Bonds4

About 4-triethylsilyloxan-3-one

4-triethylsilyloxan-3-one (PubChem CID 171360011) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-triethylsilyloxan-3-one.

Molecular Properties

Compound Name4-triethylsilyloxan-3-one
PubChem CID171360011
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name4-triethylsilyloxan-3-one
SMILESCC[Si](CC)(CC)C1CCOCC1=O
InChIInChI=1S/C11H22O2Si/c1-4-14(5-2,6-3)11-7-8-13-9-10(11)12/h11H,4-9H2,1-3H3
InChIKeyRLJIJFFQDYQBRU-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-triethylsilyloxan-3-one?
The IUPAC name of 4-triethylsilyloxan-3-one (CID 171360011) is 4-triethylsilyloxan-3-one.
What is the SMILES notation for 4-triethylsilyloxan-3-one?
The canonical SMILES for 4-triethylsilyloxan-3-one is CC[Si](CC)(CC)C1CCOCC1=O.
What is the InChIKey of 4-triethylsilyloxan-3-one?
The InChIKey is RLJIJFFQDYQBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-4-14(5-2,6-3)11-7-8-13-9-10(11)12/h11H,4-9H2,1-3H3.
What are the key properties of 4-triethylsilyloxan-3-one?
4-triethylsilyloxan-3-one has a molecular weight of 214.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethylsilyloxan-3-one is sourced from PubChem (CID 171360011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).