bis(trimethylsilyl) 3-acetylhexanedioate

C14H28O5Si2 — CID 91749503

IUPACbis(trimethylsilyl) 3-acetylhexanedioate
SMILESCC(=O)C(CCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H28O5Si2/c1-11(15)12(10-14(17)19-21(5,6)7)8-9-13(16)18-20(2,3)4/h12H,8-10H2,1-7H3
InChIKeyKTDYHURGDGPCMO-UHFFFAOYSA-N
MW332.55 g/mol
LogP3.12
Rot. Bonds8

About bis(trimethylsilyl) 3-acetylhexanedioate

bis(trimethylsilyl) 3-acetylhexanedioate (PubChem CID 91749503) has the molecular formula C14H28O5Si2 and a molecular weight of 332.55 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-acetylhexanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-acetylhexanedioate
PubChem CID91749503
Molecular FormulaC14H28O5Si2
Molecular Weight332.55 g/mol
Exact Mass332.15
IUPAC Namebis(trimethylsilyl) 3-acetylhexanedioate
SMILESCC(=O)C(CCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H28O5Si2/c1-11(15)12(10-14(17)19-21(5,6)7)8-9-13(16)18-20(2,3)4/h12H,8-10H2,1-7H3
InChIKeyKTDYHURGDGPCMO-UHFFFAOYSA-N
XLogP3.12
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.55
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Hexanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
CID 521639
3-acetyl pentanedioic acid, TMS ester
CID 91749506
trimethylsilyl (1R)-3-oxocyclopentane-1-carboxylate
CID 89951323
[Tert-butyl(dimethyl)silyl] 2-methyl-5-oxohexaneperoxoate
CID 173611558

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3-acetylhexanedioate?
The IUPAC name of bis(trimethylsilyl) 3-acetylhexanedioate (CID 91749503) is bis(trimethylsilyl) 3-acetylhexanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-acetylhexanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-acetylhexanedioate is CC(=O)C(CCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-acetylhexanedioate?
The InChIKey is KTDYHURGDGPCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5Si2/c1-11(15)12(10-14(17)19-21(5,6)7)8-9-13(16)18-20(2,3)4/h12H,8-10H2,1-7H3.
What are the key properties of bis(trimethylsilyl) 3-acetylhexanedioate?
bis(trimethylsilyl) 3-acetylhexanedioate has a molecular weight of 332.55 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-acetylhexanedioate is sourced from PubChem (CID 91749503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).