5-trimethylsilyloxyhexane-2,4-dione

C9H18O3Si — CID 23594325

IUPAC5-trimethylsilyloxyhexane-2,4-dione
SMILESCC(=O)CC(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-7(10)6-9(11)8(2)12-13(3,4)5/h8H,6H2,1-5H3
InChIKeyBFVVVJJQDIZSAE-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.77
Rot. Bonds5

About 5-trimethylsilyloxyhexane-2,4-dione

5-trimethylsilyloxyhexane-2,4-dione (PubChem CID 23594325) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is 5-trimethylsilyloxyhexane-2,4-dione.

Molecular Properties

Compound Name5-trimethylsilyloxyhexane-2,4-dione
PubChem CID23594325
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name5-trimethylsilyloxyhexane-2,4-dione
SMILESCC(=O)CC(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-7(10)6-9(11)8(2)12-13(3,4)5/h8H,6H2,1-5H3
InChIKeyBFVVVJJQDIZSAE-UHFFFAOYSA-N
XLogP1.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.77
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 5-trimethylsilyloxyhexane-2,4-dione?
The IUPAC name of 5-trimethylsilyloxyhexane-2,4-dione (CID 23594325) is 5-trimethylsilyloxyhexane-2,4-dione.
What is the SMILES notation for 5-trimethylsilyloxyhexane-2,4-dione?
The canonical SMILES for 5-trimethylsilyloxyhexane-2,4-dione is CC(=O)CC(=O)C(C)O[Si](C)(C)C.
What is the InChIKey of 5-trimethylsilyloxyhexane-2,4-dione?
The InChIKey is BFVVVJJQDIZSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-7(10)6-9(11)8(2)12-13(3,4)5/h8H,6H2,1-5H3.
What are the key properties of 5-trimethylsilyloxyhexane-2,4-dione?
5-trimethylsilyloxyhexane-2,4-dione has a molecular weight of 202.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilyloxyhexane-2,4-dione is sourced from PubChem (CID 23594325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).