6-triethylsilyloxyhexan-3-one

C12H26O2Si — CID 18622799

IUPAC6-triethylsilyloxyhexan-3-one
SMILESCCC(=O)CCCO[Si](CC)(CC)CC
InChIInChI=1S/C12H26O2Si/c1-5-12(13)10-9-11-14-15(6-2,7-3)8-4/h5-11H2,1-4H3
InChIKeyMGWUZAHSDVDBIB-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.77
Rot. Bonds9

About 6-triethylsilyloxyhexan-3-one

6-triethylsilyloxyhexan-3-one (PubChem CID 18622799) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 6-triethylsilyloxyhexan-3-one.

Molecular Properties

Compound Name6-triethylsilyloxyhexan-3-one
PubChem CID18622799
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name6-triethylsilyloxyhexan-3-one
SMILESCCC(=O)CCCO[Si](CC)(CC)CC
InChIInChI=1S/C12H26O2Si/c1-5-12(13)10-9-11-14-15(6-2,7-3)8-4/h5-11H2,1-4H3
InChIKeyMGWUZAHSDVDBIB-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-triethylsilyloxyhexan-3-one?
The IUPAC name of 6-triethylsilyloxyhexan-3-one (CID 18622799) is 6-triethylsilyloxyhexan-3-one.
What is the SMILES notation for 6-triethylsilyloxyhexan-3-one?
The canonical SMILES for 6-triethylsilyloxyhexan-3-one is CCC(=O)CCCO[Si](CC)(CC)CC.
What is the InChIKey of 6-triethylsilyloxyhexan-3-one?
The InChIKey is MGWUZAHSDVDBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-5-12(13)10-9-11-14-15(6-2,7-3)8-4/h5-11H2,1-4H3.
What are the key properties of 6-triethylsilyloxyhexan-3-one?
6-triethylsilyloxyhexan-3-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 6-triethylsilyloxyhexan-3-one is sourced from PubChem (CID 18622799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).