[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate

C18H40O3Si2 — CID 553056

IUPAC[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
SMILESCC(C)CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-14(2)13-15(20-22(9,10)17(3,4)5)16(19)21-23(11,12)18(6,7)8/h14-15H,13H2,1-12H3
InChIKeyMUXPVGBUUPXKBR-UHFFFAOYSA-N
MW360.69 g/mol
LogP5.97
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate

[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate (PubChem CID 553056) 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-4-methylpentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
PubChem CID553056
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
SMILESCC(C)CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-14(2)13-15(20-22(9,10)17(3,4)5)16(19)21-23(11,12)18(6,7)8/h14-15H,13H2,1-12H3
InChIKeyMUXPVGBUUPXKBR-UHFFFAOYSA-N
XLogP5.97
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 ≤ 55.97
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 [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate (CID 553056) is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate is CC(C)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-4-methylpentanoate?
The InChIKey is MUXPVGBUUPXKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-14(2)13-15(20-22(9,10)17(3,4)5)16(19)21-23(11,12)18(6,7)8/h14-15H,13H2,1-12H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate has a molecular weight of 360.69 g/mol, XLogP of 5.97, 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-4-methylpentanoate is sourced from PubChem (CID 553056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).