1-[tert-butyl(dimethyl)silyl]propane-1,2-dione

C9H18O2Si — CID 12929552

IUPAC1-[tert-butyl(dimethyl)silyl]propane-1,2-dione
SMILESCC(=O)C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H18O2Si/c1-7(10)8(11)12(5,6)9(2,3)4/h1-6H3
InChIKeySWFDUJZVCOVIJG-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.19
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]propane-1,2-dione

1-[tert-butyl(dimethyl)silyl]propane-1,2-dione (PubChem CID 12929552) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]propane-1,2-dione.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]propane-1,2-dione
PubChem CID12929552
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name1-[tert-butyl(dimethyl)silyl]propane-1,2-dione
SMILESCC(=O)C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H18O2Si/c1-7(10)8(11)12(5,6)9(2,3)4/h1-6H3
InChIKeySWFDUJZVCOVIJG-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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 1-[tert-butyl(dimethyl)silyl]propane-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

Related Compounds

1-Oxo-1-(trimethylsilyl)acetone
CID 642582
3,3-Dimethyl-1-trimethylsilylbutan-2-one
CID 13540822
1-Trimethylsilylpentan-2-one
CID 12457306
2-[Tert-butyl(dimethyl)silyl]pentan-3-one
CID 13775509
2-[Tert-butyl(dimethyl)silyl]hexan-3-one
CID 15033613
3-Pentanone, 1,5-bis(trimethylsilyl)-
CID 11481640
1-(Trimethylsilyl)butan-2-one
CID 13225580
4-(Trimethylsilyl)-2-butanone
CID 13407685
1-Triethylsilylpropan-2-one
CID 15033603
Butyldimethylsilylpentadione
CID 87854103
Trimethylsilylacetylaceton
CID 88280243
(2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one
CID 15522414

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]propane-1,2-dione?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]propane-1,2-dione (CID 12929552) is 1-[tert-butyl(dimethyl)silyl]propane-1,2-dione.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]propane-1,2-dione?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]propane-1,2-dione is CC(=O)C(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]propane-1,2-dione?
The InChIKey is SWFDUJZVCOVIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-7(10)8(11)12(5,6)9(2,3)4/h1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]propane-1,2-dione?
1-[tert-butyl(dimethyl)silyl]propane-1,2-dione has a molecular weight of 186.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]propane-1,2-dione is sourced from PubChem (CID 12929552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).