1-triethylsilyloxyhexan-2-one

C12H26O2Si — CID 12786212

IUPAC1-triethylsilyloxyhexan-2-one
SMILESCCCCC(=O)CO[Si](CC)(CC)CC
InChIInChI=1S/C12H26O2Si/c1-5-9-10-12(13)11-14-15(6-2,7-3)8-4/h5-11H2,1-4H3
InChIKeyUWJJPMPBBSUDCX-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.77
Rot. Bonds9

About 1-triethylsilyloxyhexan-2-one

1-triethylsilyloxyhexan-2-one (PubChem CID 12786212) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 1-triethylsilyloxyhexan-2-one.

Molecular Properties

Compound Name1-triethylsilyloxyhexan-2-one
PubChem CID12786212
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name1-triethylsilyloxyhexan-2-one
SMILESCCCCC(=O)CO[Si](CC)(CC)CC
InChIInChI=1S/C12H26O2Si/c1-5-9-10-12(13)11-14-15(6-2,7-3)8-4/h5-11H2,1-4H3
InChIKeyUWJJPMPBBSUDCX-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.77
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 1-triethylsilyloxyhexan-2-one?
The IUPAC name of 1-triethylsilyloxyhexan-2-one (CID 12786212) is 1-triethylsilyloxyhexan-2-one.
What is the SMILES notation for 1-triethylsilyloxyhexan-2-one?
The canonical SMILES for 1-triethylsilyloxyhexan-2-one is CCCCC(=O)CO[Si](CC)(CC)CC.
What is the InChIKey of 1-triethylsilyloxyhexan-2-one?
The InChIKey is UWJJPMPBBSUDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-5-9-10-12(13)11-14-15(6-2,7-3)8-4/h5-11H2,1-4H3.
What are the key properties of 1-triethylsilyloxyhexan-2-one?
1-triethylsilyloxyhexan-2-one has a molecular weight of 230.42 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethylsilyloxyhexan-2-one is sourced from PubChem (CID 12786212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).