bis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate

C26H54O6Si3 — CID 91752642

IUPACbis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate
SMILESCC(C(=O)O[Si](C)(C)C(C)(C)C)C(CC(=O)O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O6Si3/c1-19(23(29)32-35(15,16)26(8,9)10)20(17-21(27)30-33(11,12)24(2,3)4)18-22(28)31-34(13,14)25(5,6)7/h19-20H,17-18H2,1-16H3
InChIKeyFIIBTZKDSXQOEQ-UHFFFAOYSA-N
MW546.97 g/mol
LogP7.66
Rot. Bonds9

About bis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate

bis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate (PubChem CID 91752642) has the molecular formula C26H54O6Si3 and a molecular weight of 546.97 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate
PubChem CID91752642
Molecular FormulaC26H54O6Si3
Molecular Weight546.97 g/mol
Exact Mass546.32
IUPAC Namebis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate
SMILESCC(C(=O)O[Si](C)(C)C(C)(C)C)C(CC(=O)O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O6Si3/c1-19(23(29)32-35(15,16)26(8,9)10)20(17-21(27)30-33(11,12)24(2,3)4)18-22(28)31-34(13,14)25(5,6)7/h19-20H,17-18H2,1-16H3
InChIKeyFIIBTZKDSXQOEQ-UHFFFAOYSA-N
XLogP7.66
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.97
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Pentanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
CID 521632
Tris(trimethylsilyl) 1,2,3-propanetricarboxylate
CID 530425
Bis[tert-butyl(dimethyl)silyl] pentanedioate
CID 552518
Pentanedioic acid, 2-methyl-, bis(trimethylsilyl) ester
CID 521643
3-Methyladipic acid, diTBDMS
CID 528566
Pentanedioic acid, 3-methyl-, bis(tert-butyldimethylsilyl) ester
CID 552443
METHYLCITRIC ACID (I) diTMS
CID 91749483
3-isopropyl pentanedioic acid, TMS ester
CID 91749507
2,2-Dimethylglutaric acid, TBDMS
CID 91752558
2-Methyl-3-ethyl-3-hydroxyglutaric acid, tris(trimethylsilyl)-
CID 552440
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[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate (CID 91752642) is bis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate is CC(C(=O)O[Si](C)(C)C(C)(C)C)C(CC(=O)O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate?
The InChIKey is FIIBTZKDSXQOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O6Si3/c1-19(23(29)32-35(15,16)26(8,9)10)20(17-21(27)30-33(11,12)24(2,3)4)18-22(28)31-34(13,14)25(5,6)7/h19-20H,17-18H2,1-16H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate?
bis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate has a molecular weight of 546.97 g/mol, XLogP of 7.66, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 3-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-2-methylpentanedioate is sourced from PubChem (CID 91752642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).