[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate

C18H40O3Si2 — CID 91752564

IUPAC[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate
SMILESCCC(CC)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-13-18(14-2,21-23(11,12)17(6,7)8)15(19)20-22(9,10)16(3,4)5/h13-14H2,1-12H3
InChIKeyVWVKSKZMJCGRSP-UHFFFAOYSA-N
MW360.69 g/mol
LogP6.12
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate

[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate (PubChem CID 91752564) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate
PubChem CID91752564
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate
SMILESCCC(CC)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-13-18(14-2,21-23(11,12)17(6,7)8)15(19)20-22(9,10)16(3,4)5/h13-14H2,1-12H3
InChIKeyVWVKSKZMJCGRSP-UHFFFAOYSA-N
XLogP6.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 56.12
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

Butanoic acid, 2-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 553016
alpha-Hydroxyisobutyric acid, 2TBDMS derivative
CID 553122
2-Hydroxy-2-methylbutyric acid, TBDMS
CID 91752565
Pentanoic acid, 2-hydroxy-3-methyl, TBDMS
CID 91753829
Methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate
CID 22456916
2-Methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate
CID 22214250

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate (CID 91752564) is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate is CCC(CC)(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]oxy-2-ethylbutanoate?
The InChIKey is VWVKSKZMJCGRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-13-18(14-2,21-23(11,12)17(6,7)8)15(19)20-22(9,10)16(3,4)5/h13-14H2,1-12H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate?
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate has a molecular weight of 360.69 g/mol, XLogP of 6.12, 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]oxy-2-ethylbutanoate is sourced from PubChem (CID 91752564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).