[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate

C16H36O3Si2 — CID 589997

IUPAC[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate
SMILESCC(C)(C)[Si](C)(C)OCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-13-11-12-14(17)19-21(9,10)16(4,5)6/h11-13H2,1-10H3
InChIKeyHPXRSTXXSLXSCU-UHFFFAOYSA-N
MW332.63 g/mol
LogP5.34
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate

[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate (PubChem CID 589997) has the molecular formula C16H36O3Si2 and a molecular weight of 332.63 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate
PubChem CID589997
Molecular FormulaC16H36O3Si2
Molecular Weight332.63 g/mol
Exact Mass332.22
IUPAC Name[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate
SMILESCC(C)(C)[Si](C)(C)OCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-13-11-12-14(17)19-21(9,10)16(4,5)6/h11-13H2,1-10H3
InChIKeyHPXRSTXXSLXSCU-UHFFFAOYSA-N
XLogP5.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.63
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate (CID 589997) is [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate is CC(C)(C)[Si](C)(C)OCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate?
The InChIKey is HPXRSTXXSLXSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-13-11-12-14(17)19-21(9,10)16(4,5)6/h11-13H2,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate?
[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxybutanoate has a molecular weight of 332.63 g/mol, XLogP of 5.34, 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] 4-[tert-butyl(dimethyl)silyl]oxybutanoate is sourced from PubChem (CID 589997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).