1-trimethylsilylpropane-1,2-dione

C6H12O2Si — CID 642582

IUPAC1-trimethylsilylpropane-1,2-dione
SMILESCC(=O)C(=O)[Si](C)(C)C
InChIInChI=1S/C6H12O2Si/c1-5(7)6(8)9(2,3)4/h1-4H3
InChIKeyJUFHOJKPZBIMPU-UHFFFAOYSA-N
MW144.25 g/mol
LogP1.02
Rot. Bonds2

About 1-trimethylsilylpropane-1,2-dione

1-trimethylsilylpropane-1,2-dione (PubChem CID 642582) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol. Its IUPAC name is 1-trimethylsilylpropane-1,2-dione.

Molecular Properties

Compound Name1-trimethylsilylpropane-1,2-dione
PubChem CID642582
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Name1-trimethylsilylpropane-1,2-dione
SMILESCC(=O)C(=O)[Si](C)(C)C
InChIInChI=1S/C6H12O2Si/c1-5(7)6(8)9(2,3)4/h1-4H3
InChIKeyJUFHOJKPZBIMPU-UHFFFAOYSA-N
XLogP1.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylpropane-1,2-dione?
The IUPAC name of 1-trimethylsilylpropane-1,2-dione (CID 642582) is 1-trimethylsilylpropane-1,2-dione.
What is the SMILES notation for 1-trimethylsilylpropane-1,2-dione?
The canonical SMILES for 1-trimethylsilylpropane-1,2-dione is CC(=O)C(=O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylpropane-1,2-dione?
The InChIKey is JUFHOJKPZBIMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-5(7)6(8)9(2,3)4/h1-4H3.
What are the key properties of 1-trimethylsilylpropane-1,2-dione?
1-trimethylsilylpropane-1,2-dione has a molecular weight of 144.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylpropane-1,2-dione is sourced from PubChem (CID 642582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).