3,3-dimethyl-1-trimethylsilylbutane-1,2-dione

C9H18O2Si — CID 158093615

IUPAC3,3-dimethyl-1-trimethylsilylbutane-1,2-dione
SMILESCC(C)(C)C(=O)C(=O)[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-9(2,3)7(10)8(11)12(4,5)6/h1-6H3
InChIKeyIIALBELTIZPFOK-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.05
Rot. Bonds2

About 3,3-dimethyl-1-trimethylsilylbutane-1,2-dione

3,3-dimethyl-1-trimethylsilylbutane-1,2-dione (PubChem CID 158093615) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-trimethylsilylbutane-1,2-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-trimethylsilylbutane-1,2-dione
PubChem CID158093615
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name3,3-dimethyl-1-trimethylsilylbutane-1,2-dione
SMILESCC(C)(C)C(=O)C(=O)[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-9(2,3)7(10)8(11)12(4,5)6/h1-6H3
InChIKeyIIALBELTIZPFOK-UHFFFAOYSA-N
XLogP2.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.05
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'}

Analyze 3,3-dimethyl-1-trimethylsilylbutane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-trimethylsilylbutane-1,2-dione?
The IUPAC name of 3,3-dimethyl-1-trimethylsilylbutane-1,2-dione (CID 158093615) is 3,3-dimethyl-1-trimethylsilylbutane-1,2-dione.
What is the SMILES notation for 3,3-dimethyl-1-trimethylsilylbutane-1,2-dione?
The canonical SMILES for 3,3-dimethyl-1-trimethylsilylbutane-1,2-dione is CC(C)(C)C(=O)C(=O)[Si](C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-trimethylsilylbutane-1,2-dione?
The InChIKey is IIALBELTIZPFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-9(2,3)7(10)8(11)12(4,5)6/h1-6H3.
What are the key properties of 3,3-dimethyl-1-trimethylsilylbutane-1,2-dione?
3,3-dimethyl-1-trimethylsilylbutane-1,2-dione has a molecular weight of 186.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-trimethylsilylbutane-1,2-dione is sourced from PubChem (CID 158093615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).