6-trimethylsilyloxyoctane-3,5-dione

C11H22O3Si — CID 141139006

IUPAC6-trimethylsilyloxyoctane-3,5-dione
SMILESCCC(=O)CC(=O)C(CC)O[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-6-9(12)8-10(13)11(7-2)14-15(3,4)5/h11H,6-8H2,1-5H3
InChIKeyUZTKEDFSHYALEH-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.55
Rot. Bonds7

About 6-trimethylsilyloxyoctane-3,5-dione

6-trimethylsilyloxyoctane-3,5-dione (PubChem CID 141139006) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 6-trimethylsilyloxyoctane-3,5-dione.

Molecular Properties

Compound Name6-trimethylsilyloxyoctane-3,5-dione
PubChem CID141139006
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name6-trimethylsilyloxyoctane-3,5-dione
SMILESCCC(=O)CC(=O)C(CC)O[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-6-9(12)8-10(13)11(7-2)14-15(3,4)5/h11H,6-8H2,1-5H3
InChIKeyUZTKEDFSHYALEH-UHFFFAOYSA-N
XLogP2.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.55
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

Cyclohexanone, 2-[(trimethylsilyl)oxy]-
CID 11389834
1-Trimethylsilyloxyhexan-2-one
CID 13610760
3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
1,1,1-Trifluoro-2-trimethylsilyloxyoctan-3-one
CID 151934449
(6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 135039894
2-[(Trimethylsilyl)oxy]cyclooctan-1-one
CID 12608296
1-Trimethylsilyloxyheptan-2-one
CID 18622724
1-Triethylsilyloxyheptan-2-one
CID 18622846
1-[Tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione
CID 19789851
2,6-Bis(trimethylsilyloxy)heptane-3,5-dione
CID 23594315
5-Trimethylsilyloxyhexane-2,4-dione
CID 23594325
2-Trimethylsilyloxyheptane-3,5-dione
CID 86260727

Frequently Asked Questions

What is the IUPAC name of 6-trimethylsilyloxyoctane-3,5-dione?
The IUPAC name of 6-trimethylsilyloxyoctane-3,5-dione (CID 141139006) is 6-trimethylsilyloxyoctane-3,5-dione.
What is the SMILES notation for 6-trimethylsilyloxyoctane-3,5-dione?
The canonical SMILES for 6-trimethylsilyloxyoctane-3,5-dione is CCC(=O)CC(=O)C(CC)O[Si](C)(C)C.
What is the InChIKey of 6-trimethylsilyloxyoctane-3,5-dione?
The InChIKey is UZTKEDFSHYALEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-6-9(12)8-10(13)11(7-2)14-15(3,4)5/h11H,6-8H2,1-5H3.
What are the key properties of 6-trimethylsilyloxyoctane-3,5-dione?
6-trimethylsilyloxyoctane-3,5-dione has a molecular weight of 230.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethylsilyloxyoctane-3,5-dione is sourced from PubChem (CID 141139006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).