bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate

C17H38O5Si3 — CID 552440

IUPACbis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate
SMILESCCC(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H38O5Si3/c1-12-17(22-25(9,10)11,13-15(18)20-23(3,4)5)14(2)16(19)21-24(6,7)8/h14H,12-13H2,1-11H3
InChIKeySGXCIDIECQPPHE-UHFFFAOYSA-N
MW406.74 g/mol
LogP4.77
Rot. Bonds9

About bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate

bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate (PubChem CID 552440) has the molecular formula C17H38O5Si3 and a molecular weight of 406.74 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate
PubChem CID552440
Molecular FormulaC17H38O5Si3
Molecular Weight406.74 g/mol
Exact Mass406.20
IUPAC Namebis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate
SMILESCCC(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H38O5Si3/c1-12-17(22-25(9,10)11,13-15(18)20-23(3,4)5)14(2)16(19)21-24(6,7)8/h14H,12-13H2,1-11H3
InChIKeySGXCIDIECQPPHE-UHFFFAOYSA-N
XLogP4.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.74
LogP ≤ 54.77
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
2,3,4-Trimethyl-3-hydroxyglutaric acid, O,O',O'-tris9trimethylsilyl)-
CID 552441
2,3-Dimethyl-3-hydroxyglutaric acid, tris(trimethylsilyl)
CID 552447

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate?
The IUPAC name of bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate (CID 552440) is bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate is CCC(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate?
The InChIKey is SGXCIDIECQPPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O5Si3/c1-12-17(22-25(9,10)11,13-15(18)20-23(3,4)5)14(2)16(19)21-24(6,7)8/h14H,12-13H2,1-11H3.
What are the key properties of bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate?
bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate has a molecular weight of 406.74 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate is sourced from PubChem (CID 552440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).