7-triethylsilyloxyheptan-3-one

C13H28O2Si — CID 18622826

IUPAC7-triethylsilyloxyheptan-3-one
SMILESCCC(=O)CCCCO[Si](CC)(CC)CC
InChIInChI=1S/C13H28O2Si/c1-5-13(14)11-9-10-12-15-16(6-2,7-3)8-4/h5-12H2,1-4H3
InChIKeyPQYVEIGWJWKOQU-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.16
Rot. Bonds10

About 7-triethylsilyloxyheptan-3-one

7-triethylsilyloxyheptan-3-one (PubChem CID 18622826) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 7-triethylsilyloxyheptan-3-one.

Molecular Properties

Compound Name7-triethylsilyloxyheptan-3-one
PubChem CID18622826
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name7-triethylsilyloxyheptan-3-one
SMILESCCC(=O)CCCCO[Si](CC)(CC)CC
InChIInChI=1S/C13H28O2Si/c1-5-13(14)11-9-10-12-15-16(6-2,7-3)8-4/h5-12H2,1-4H3
InChIKeyPQYVEIGWJWKOQU-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.16
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 7-triethylsilyloxyheptan-3-one?
The IUPAC name of 7-triethylsilyloxyheptan-3-one (CID 18622826) is 7-triethylsilyloxyheptan-3-one.
What is the SMILES notation for 7-triethylsilyloxyheptan-3-one?
The canonical SMILES for 7-triethylsilyloxyheptan-3-one is CCC(=O)CCCCO[Si](CC)(CC)CC.
What is the InChIKey of 7-triethylsilyloxyheptan-3-one?
The InChIKey is PQYVEIGWJWKOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-5-13(14)11-9-10-12-15-16(6-2,7-3)8-4/h5-12H2,1-4H3.
What are the key properties of 7-triethylsilyloxyheptan-3-one?
7-triethylsilyloxyheptan-3-one has a molecular weight of 244.45 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-triethylsilyloxyheptan-3-one is sourced from PubChem (CID 18622826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).