bis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate

C16H36O5Si3 — CID 552447

IUPACbis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate
SMILESCC(C(=O)O[Si](C)(C)C)C(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H36O5Si3/c1-13(15(18)20-23(6,7)8)16(2,21-24(9,10)11)12-14(17)19-22(3,4)5/h13H,12H2,1-11H3
InChIKeyDXCAYBXDJQBDFV-UHFFFAOYSA-N
MW392.72 g/mol
LogP4.38
Rot. Bonds8

About bis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate

bis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate (PubChem CID 552447) has the molecular formula C16H36O5Si3 and a molecular weight of 392.72 g/mol. Its IUPAC name is bis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate
PubChem CID552447
Molecular FormulaC16H36O5Si3
Molecular Weight392.72 g/mol
Exact Mass392.19
IUPAC Namebis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate
SMILESCC(C(=O)O[Si](C)(C)C)C(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H36O5Si3/c1-13(15(18)20-23(6,7)8)16(2,21-24(9,10)11)12-14(17)19-22(3,4)5/h13H,12H2,1-11H3
InChIKeyDXCAYBXDJQBDFV-UHFFFAOYSA-N
XLogP4.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.72
LogP ≤ 54.38
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

Pentanedioic acid, 3-methyl-3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521668
2,4-Dodeoxy-3-C-methylpentonic acid, tris-TMS
CID 523315
Methyl [(isopropoxycarbonyl)disulfanyl]acetate
CID 523775
3-Hydroxy-3-methylglutarate, TBDMS
CID 552407
Mevalonic acid, triTBDMS
CID 553829
1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate
CID 10787430
Methylcitric acid, tetraTBDMS (1)
CID 6430569
Mevalonic acid, TMS
CID 91748333
3-isopropyl pentanedioic acid, TMS ester
CID 91749507
Methylcitric acid, TBDMS # 1
CID 91752642
2-Methyl-3-ethyl-3-hydroxyglutaric acid, tris(trimethylsilyl)-
CID 552440
2,3,4-Trimethyl-3-hydroxyglutaric acid, O,O',O'-tris9trimethylsilyl)-
CID 552441

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate?
The IUPAC name of bis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate (CID 552447) is bis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate?
The canonical SMILES for bis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate is CC(C(=O)O[Si](C)(C)C)C(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate?
The InChIKey is DXCAYBXDJQBDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O5Si3/c1-13(15(18)20-23(6,7)8)16(2,21-24(9,10)11)12-14(17)19-22(3,4)5/h13H,12H2,1-11H3.
What are the key properties of bis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate?
bis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate has a molecular weight of 392.72 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2,3-dimethyl-3-trimethylsilyloxypentanedioate is sourced from PubChem (CID 552447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).