3-triethylsilyloxybutan-2-one

C10H22O2Si — CID 157186572

IUPAC3-triethylsilyloxybutan-2-one
SMILESCC[Si](CC)(CC)OC(C)C(C)=O
InChIInChI=1S/C10H22O2Si/c1-6-13(7-2,8-3)12-10(5)9(4)11/h10H,6-8H2,1-5H3
InChIKeyAPEPVJJTATYHSR-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.99
Rot. Bonds6

About 3-triethylsilyloxybutan-2-one

3-triethylsilyloxybutan-2-one (PubChem CID 157186572) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 3-triethylsilyloxybutan-2-one.

Molecular Properties

Compound Name3-triethylsilyloxybutan-2-one
PubChem CID157186572
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name3-triethylsilyloxybutan-2-one
SMILESCC[Si](CC)(CC)OC(C)C(C)=O
InChIInChI=1S/C10H22O2Si/c1-6-13(7-2,8-3)12-10(5)9(4)11/h10H,6-8H2,1-5H3
InChIKeyAPEPVJJTATYHSR-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.99
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 3-triethylsilyloxybutan-2-one?
The IUPAC name of 3-triethylsilyloxybutan-2-one (CID 157186572) is 3-triethylsilyloxybutan-2-one.
What is the SMILES notation for 3-triethylsilyloxybutan-2-one?
The canonical SMILES for 3-triethylsilyloxybutan-2-one is CC[Si](CC)(CC)OC(C)C(C)=O.
What is the InChIKey of 3-triethylsilyloxybutan-2-one?
The InChIKey is APEPVJJTATYHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-6-13(7-2,8-3)12-10(5)9(4)11/h10H,6-8H2,1-5H3.
What are the key properties of 3-triethylsilyloxybutan-2-one?
3-triethylsilyloxybutan-2-one has a molecular weight of 202.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethylsilyloxybutan-2-one is sourced from PubChem (CID 157186572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).