3-methyl-4-triethylsilyloxybutan-2-one

C11H24O2Si — CID 12008019

IUPAC3-methyl-4-triethylsilyloxybutan-2-one
SMILESCC[Si](CC)(CC)OCC(C)C(C)=O
InChIInChI=1S/C11H24O2Si/c1-6-14(7-2,8-3)13-9-10(4)11(5)12/h10H,6-9H2,1-5H3
InChIKeyXYMMMADCACNKKM-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.23
Rot. Bonds7

About 3-methyl-4-triethylsilyloxybutan-2-one

3-methyl-4-triethylsilyloxybutan-2-one (PubChem CID 12008019) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 3-methyl-4-triethylsilyloxybutan-2-one.

Molecular Properties

Compound Name3-methyl-4-triethylsilyloxybutan-2-one
PubChem CID12008019
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name3-methyl-4-triethylsilyloxybutan-2-one
SMILESCC[Si](CC)(CC)OCC(C)C(C)=O
InChIInChI=1S/C11H24O2Si/c1-6-14(7-2,8-3)13-9-10(4)11(5)12/h10H,6-9H2,1-5H3
InChIKeyXYMMMADCACNKKM-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.23
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-methyl-4-triethylsilyloxybutan-2-one?
The IUPAC name of 3-methyl-4-triethylsilyloxybutan-2-one (CID 12008019) is 3-methyl-4-triethylsilyloxybutan-2-one.
What is the SMILES notation for 3-methyl-4-triethylsilyloxybutan-2-one?
The canonical SMILES for 3-methyl-4-triethylsilyloxybutan-2-one is CC[Si](CC)(CC)OCC(C)C(C)=O.
What is the InChIKey of 3-methyl-4-triethylsilyloxybutan-2-one?
The InChIKey is XYMMMADCACNKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-6-14(7-2,8-3)13-9-10(4)11(5)12/h10H,6-9H2,1-5H3.
What are the key properties of 3-methyl-4-triethylsilyloxybutan-2-one?
3-methyl-4-triethylsilyloxybutan-2-one has a molecular weight of 216.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-triethylsilyloxybutan-2-one is sourced from PubChem (CID 12008019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).