2-trimethylsilyloxyheptane-3,5-dione

C10H20O3Si — CID 86260727

IUPAC2-trimethylsilyloxyheptane-3,5-dione
SMILESCCC(=O)CC(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-9(11)7-10(12)8(2)13-14(3,4)5/h8H,6-7H2,1-5H3
InChIKeyMFSIIJSEAFTQGJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.16
Rot. Bonds6

About 2-trimethylsilyloxyheptane-3,5-dione

2-trimethylsilyloxyheptane-3,5-dione (PubChem CID 86260727) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-trimethylsilyloxyheptane-3,5-dione.

Molecular Properties

Compound Name2-trimethylsilyloxyheptane-3,5-dione
PubChem CID86260727
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name2-trimethylsilyloxyheptane-3,5-dione
SMILESCCC(=O)CC(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-9(11)7-10(12)8(2)13-14(3,4)5/h8H,6-7H2,1-5H3
InChIKeyMFSIIJSEAFTQGJ-UHFFFAOYSA-N
XLogP2.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxyheptane-3,5-dione?
The IUPAC name of 2-trimethylsilyloxyheptane-3,5-dione (CID 86260727) is 2-trimethylsilyloxyheptane-3,5-dione.
What is the SMILES notation for 2-trimethylsilyloxyheptane-3,5-dione?
The canonical SMILES for 2-trimethylsilyloxyheptane-3,5-dione is CCC(=O)CC(=O)C(C)O[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilyloxyheptane-3,5-dione?
The InChIKey is MFSIIJSEAFTQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-6-9(11)7-10(12)8(2)13-14(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 2-trimethylsilyloxyheptane-3,5-dione?
2-trimethylsilyloxyheptane-3,5-dione has a molecular weight of 216.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxyheptane-3,5-dione is sourced from PubChem (CID 86260727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).