bis(trimethylsilyl) 3-oxohexanedioate

C12H24O5Si2 — CID 91749591

IUPACbis(trimethylsilyl) 3-oxohexanedioate
SMILESC[Si](C)(C)OC(=O)CCC(=O)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H24O5Si2/c1-18(2,3)16-11(14)8-7-10(13)9-12(15)17-19(4,5)6/h7-9H2,1-6H3
InChIKeyDOEYEWCTCLMKDV-UHFFFAOYSA-N
MW304.49 g/mol
LogP2.48
Rot. Bonds7

About bis(trimethylsilyl) 3-oxohexanedioate

bis(trimethylsilyl) 3-oxohexanedioate (PubChem CID 91749591) has the molecular formula C12H24O5Si2 and a molecular weight of 304.49 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-oxohexanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-oxohexanedioate
PubChem CID91749591
Molecular FormulaC12H24O5Si2
Molecular Weight304.49 g/mol
Exact Mass304.12
IUPAC Namebis(trimethylsilyl) 3-oxohexanedioate
SMILESC[Si](C)(C)OC(=O)CCC(=O)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H24O5Si2/c1-18(2,3)16-11(14)8-7-10(13)9-12(15)17-19(4,5)6/h7-9H2,1-6H3
InChIKeyDOEYEWCTCLMKDV-UHFFFAOYSA-N
XLogP2.48
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(trimethylsilyl) 3-oxohexanedioate 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 bis(trimethylsilyl) 3-oxohexanedioate?
The IUPAC name of bis(trimethylsilyl) 3-oxohexanedioate (CID 91749591) is bis(trimethylsilyl) 3-oxohexanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-oxohexanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-oxohexanedioate is C[Si](C)(C)OC(=O)CCC(=O)CC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-oxohexanedioate?
The InChIKey is DOEYEWCTCLMKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si2/c1-18(2,3)16-11(14)8-7-10(13)9-12(15)17-19(4,5)6/h7-9H2,1-6H3.
What are the key properties of bis(trimethylsilyl) 3-oxohexanedioate?
bis(trimethylsilyl) 3-oxohexanedioate has a molecular weight of 304.49 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-oxohexanedioate is sourced from PubChem (CID 91749591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).