2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione

C13H26O3Si — CID 22253512

IUPAC2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione
SMILESCC(C)(C)C(=O)CC(=O)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C13H26O3Si/c1-12(2,3)10(14)9-11(15)13(4,5)16-17(6,7)8/h9H2,1-8H3
InChIKeyYPMLIGIXBJGLMQ-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.19
Rot. Bonds5

About 2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione

2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione (PubChem CID 22253512) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione.

Molecular Properties

Compound Name2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione
PubChem CID22253512
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione
SMILESCC(C)(C)C(=O)CC(=O)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C13H26O3Si/c1-12(2,3)10(14)9-11(15)13(4,5)16-17(6,7)8/h9H2,1-8H3
InChIKeyYPMLIGIXBJGLMQ-UHFFFAOYSA-N
XLogP3.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione
CID 22253510
calcium 2,2,6,6-tetramethylheptane-3,5-dione
CID 21192278
praseodymium;2,2,6,6-tetramethylheptane-3,5-dione
CID 139531007
oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)
CID 88830247
calcium;hydride;2,2,6,6-tetramethylheptane-3,5-dione
CID 173276240
2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione
CID 23594314
1-methoxy-2,2,6,6-tetramethylheptane-3,5-dione
CID 87103469
iron(3+);tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione)
CID 90213888
dysprosium(3+);tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione)
CID 174851533
tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione);neodymium(3+)
CID 174851540
tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione);ytterbium(3+)
CID 175018021
iridium(3+);tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione)
CID 174840957

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione?
The IUPAC name of 2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione (CID 22253512) is 2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione.
What is the SMILES notation for 2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione?
The canonical SMILES for 2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione is CC(C)(C)C(=O)CC(=O)C(C)(C)O[Si](C)(C)C.
What is the InChIKey of 2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione?
The InChIKey is YPMLIGIXBJGLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-12(2,3)10(14)9-11(15)13(4,5)16-17(6,7)8/h9H2,1-8H3.
What are the key properties of 2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione?
2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione has a molecular weight of 258.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione is sourced from PubChem (CID 22253512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).