[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate

C17H38O3Si2 — CID 553037

IUPAC[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCCCC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-12-13-14(19-21(8,9)16(2,3)4)15(18)20-22(10,11)17(5,6)7/h14H,12-13H2,1-11H3
InChIKeyMGAXIOLXSPMIGG-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.73
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate

[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate (PubChem CID 553037) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate
PubChem CID553037
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCCCC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-12-13-14(19-21(8,9)16(2,3)4)15(18)20-22(10,11)17(5,6)7/h14H,12-13H2,1-11H3
InChIKeyMGAXIOLXSPMIGG-UHFFFAOYSA-N
XLogP5.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl(dimethyl)silyl 2-([tert-butyl(dimethyl)silyl]oxy)-3-methylbutanoate
CID 553040
tert-Butyl(dimethyl)silyl 2-([tert-butyl(dimethyl)silyl]oxy)-4-methylpentanoate
CID 553056
Butanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester
CID 590026
[tert-butyl(dimethyl)silyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11175848
Trimethylsilyl 4-methyl-2-[(trimethylsilyl)oxy]pentanoate
CID 521553
2-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 521692
Lactic acid, diTBDMS
CID 528563
Trimethylsilyl 3-methyl-2-[(trimethylsilyl)oxy]pentanoate
CID 528641
2-Hydroxyglutarate, TBDMS
CID 634802
2-Hydroxyoctanoic acid, 2TBDMS derivative
CID 91719363
2-[Tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 21665053
Ethyldibutylsilyl 4-ethyldibutylsilyloxypentanoate
CID 129778077

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate (CID 553037) is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate is CCCC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate?
The InChIKey is MGAXIOLXSPMIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-12-13-14(19-21(8,9)16(2,3)4)15(18)20-22(10,11)17(5,6)7/h14H,12-13H2,1-11H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate?
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate has a molecular weight of 346.66 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanoate is sourced from PubChem (CID 553037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).