[butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate

C17H38O3Si2 — CID 87301704

IUPAC[butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
SMILESCCCC[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C17H38O3Si2/c1-11-12-13-21(7,8)20-16(18)15(14(2)3)19-22(9,10)17(4,5)6/h14-15H,11-13H2,1-10H3
InChIKeyHGFKETQYDJRSQB-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.58
Rot. Bonds8

About [butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate

[butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate (PubChem CID 87301704) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is [butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate.

Molecular Properties

Compound Name[butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
PubChem CID87301704
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name[butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
SMILESCCCC[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C17H38O3Si2/c1-11-12-13-21(7,8)20-16(18)15(14(2)3)19-22(9,10)17(4,5)6/h14-15H,11-13H2,1-10H3
InChIKeyHGFKETQYDJRSQB-UHFFFAOYSA-N
XLogP5.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The IUPAC name of [butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate (CID 87301704) is [butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate.
What is the SMILES notation for [butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The canonical SMILES for [butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate is CCCC[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of [butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The InChIKey is HGFKETQYDJRSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-11-12-13-21(7,8)20-16(18)15(14(2)3)19-22(9,10)17(4,5)6/h14-15H,11-13H2,1-10H3.
What are the key properties of [butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
[butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate has a molecular weight of 346.66 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate is sourced from PubChem (CID 87301704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).