5,5-dimethyl-4-trimethylsilyloxyhexan-3-one

C11H24O2Si — CID 12641555

IUPAC5,5-dimethyl-4-trimethylsilyloxyhexan-3-one
SMILESCCC(=O)C(O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-8-9(12)10(11(2,3)4)13-14(5,6)7/h10H,8H2,1-7H3
InChIKeyZIYMVIQVLCTWJK-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.23
Rot. Bonds4

About 5,5-dimethyl-4-trimethylsilyloxyhexan-3-one

5,5-dimethyl-4-trimethylsilyloxyhexan-3-one (PubChem CID 12641555) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 5,5-dimethyl-4-trimethylsilyloxyhexan-3-one.

Molecular Properties

Compound Name5,5-dimethyl-4-trimethylsilyloxyhexan-3-one
PubChem CID12641555
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name5,5-dimethyl-4-trimethylsilyloxyhexan-3-one
SMILESCCC(=O)C(O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-8-9(12)10(11(2,3)4)13-14(5,6)7/h10H,8H2,1-7H3
InChIKeyZIYMVIQVLCTWJK-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 5,5-dimethyl-4-trimethylsilyloxyhexan-3-one?
The IUPAC name of 5,5-dimethyl-4-trimethylsilyloxyhexan-3-one (CID 12641555) is 5,5-dimethyl-4-trimethylsilyloxyhexan-3-one.
What is the SMILES notation for 5,5-dimethyl-4-trimethylsilyloxyhexan-3-one?
The canonical SMILES for 5,5-dimethyl-4-trimethylsilyloxyhexan-3-one is CCC(=O)C(O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-trimethylsilyloxyhexan-3-one?
The InChIKey is ZIYMVIQVLCTWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-8-9(12)10(11(2,3)4)13-14(5,6)7/h10H,8H2,1-7H3.
What are the key properties of 5,5-dimethyl-4-trimethylsilyloxyhexan-3-one?
5,5-dimethyl-4-trimethylsilyloxyhexan-3-one has a molecular weight of 216.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-trimethylsilyloxyhexan-3-one is sourced from PubChem (CID 12641555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).