bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate

C23H51NO4Si3 — CID 91753821

IUPACbis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate
SMILESCC(CC(=O)O[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H51NO4Si3/c1-20(2,3)29(11,12)24-23(10,19(26)28-31(15,16)22(7,8)9)17-18(25)27-30(13,14)21(4,5)6/h24H,17H2,1-16H3
InChIKeyOMLIHQHGHIEPJT-UHFFFAOYSA-N
MW489.92 g/mol
LogP6.83
Rot. Bonds7

About bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate

bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate (PubChem CID 91753821) has the molecular formula C23H51NO4Si3 and a molecular weight of 489.92 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate
PubChem CID91753821
Molecular FormulaC23H51NO4Si3
Molecular Weight489.92 g/mol
Exact Mass489.31
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate
SMILESCC(CC(=O)O[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H51NO4Si3/c1-20(2,3)29(11,12)24-23(10,19(26)28-31(15,16)22(7,8)9)17-18(25)27-30(13,14)21(4,5)6/h24H,17H2,1-16H3
InChIKeyOMLIHQHGHIEPJT-UHFFFAOYSA-N
XLogP6.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.92
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate with MolForge

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Related Compounds

4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid
CID 58473369
[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate
CID 529362
[tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
CID 150663036
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] 5-fluoropentanoate
CID 87739176
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
[tert-butyl(dimethyl)silyl] 2-anilinoacetate
CID 69047191
[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate
CID 91713351
[tert-butyl(dimethyl)silyl] 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694129

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate (CID 91753821) is bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate is CC(CC(=O)O[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate?
The InChIKey is OMLIHQHGHIEPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51NO4Si3/c1-20(2,3)29(11,12)24-23(10,19(26)28-31(15,16)22(7,8)9)17-18(25)27-30(13,14)21(4,5)6/h24H,17H2,1-16H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate?
bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate has a molecular weight of 489.92 g/mol, XLogP of 6.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate is sourced from PubChem (CID 91753821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).