2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one

C13H28O2Si — CID 13122095

IUPAC2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one
SMILESCC(C)(C)C(=O)C(O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(2,3)10(14)11(13(4,5)6)15-16(7,8)9/h11H,1-9H3
InChIKeySXDFNIOVNHWVIT-UHFFFAOYSA-N
MW244.45 g/mol
LogP3.87
Rot. Bonds3

About 2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one

2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one (PubChem CID 13122095) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one
PubChem CID13122095
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one
SMILESCC(C)(C)C(=O)C(O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(2,3)10(14)11(13(4,5)6)15-16(7,8)9/h11H,1-9H3
InChIKeySXDFNIOVNHWVIT-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.87
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 2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one (CID 13122095) is 2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one is CC(C)(C)C(=O)C(O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one?
The InChIKey is SXDFNIOVNHWVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-12(2,3)10(14)11(13(4,5)6)15-16(7,8)9/h11H,1-9H3.
What are the key properties of 2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one?
2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one has a molecular weight of 244.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-trimethylsilyloxyhexan-3-one is sourced from PubChem (CID 13122095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).