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

C18H40O3Si2 — CID 91753829

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

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

[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate (PubChem CID 91753829) 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-3-methylpentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
PubChem CID91753829
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
SMILESCCC(C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-13-14(2)15(20-22(9,10)17(3,4)5)16(19)21-23(11,12)18(6,7)8/h14-15H,13H2,1-12H3
InChIKeySDFCTEKBKPVZJG-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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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
Trimethylsilyl 3-methyl-2-[(trimethylsilyl)oxy]pentanoate
CID 528641
Pentanoic acid, 2-hydroxy, TBDMS
CID 553037
2-[Tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
(s)-Methyl 2-(t-butyldimethylsilanyloxy)-4-methyl-pentanoate
CID 16756101
Ethyldibutylsilyl 4-ethyldibutylsilyloxypentanoate
CID 129778077
2-Ethyl-2-hydroxybutyric acid, TBDMS
CID 91752564
Hexanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester, (DL)-
CID 553036

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate (CID 91753829) is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate is CCC(C)C(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-3-methylpentanoate?
The InChIKey is SDFCTEKBKPVZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-13-14(2)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-3-methylpentanoate?
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-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-3-methylpentanoate is sourced from PubChem (CID 91753829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).