[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate

C20H44O3Si2 — CID 91719363

IUPAC[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate
SMILESCCCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-12-13-14-15-16-17(22-24(8,9)19(2,3)4)18(21)23-25(10,11)20(5,6)7/h17H,12-16H2,1-11H3
InChIKeyJGZSYPNWPQDUPE-UHFFFAOYSA-N
MW388.74 g/mol
LogP6.90
Rot. Bonds9

About [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate

[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate (PubChem CID 91719363) has the molecular formula C20H44O3Si2 and a molecular weight of 388.74 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate
PubChem CID91719363
Molecular FormulaC20H44O3Si2
Molecular Weight388.74 g/mol
Exact Mass388.28
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate
SMILESCCCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-12-13-14-15-16-17(22-24(8,9)19(2,3)4)18(21)23-25(10,11)20(5,6)7/h17H,12-16H2,1-11H3
InChIKeyJGZSYPNWPQDUPE-UHFFFAOYSA-N
XLogP6.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 56.90
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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Related Compounds

Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524469
methyl (6S,7S,16S)-6,7,16-tris(trimethylsilyloxy)heptadecanoate
CID 162911043
Octadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524479
Octadecanoic acid, 9,10-bis[(trimethylsilyl)oxy]-, methyl ester
CID 553462
Octadecanoic acid, 12-[(trimethylsilyl)oxy]-, methyl ester
CID 604384
Methyl 15-trimethylsiloxy eicosanoate
CID 129726527
Methyl 18-trimethylsiloxy eicosanoate
CID 129726555
Methyl 12-trimethylsiloxy eicosanoate
CID 129726563
Methyl 8-trimethylsiloxy eicosanoate
CID 129726572
Methyl 17-trimethylsiloxy eicosanoate
CID 129726574
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
alpha-Hydroxyarachidic acid, TMSi-Me
CID 524463

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate (CID 91719363) is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate is CCCCCCC(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]oxyoctanoate?
The InChIKey is JGZSYPNWPQDUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O3Si2/c1-12-13-14-15-16-17(22-24(8,9)19(2,3)4)18(21)23-25(10,11)20(5,6)7/h17H,12-16H2,1-11H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate?
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxyoctanoate has a molecular weight of 388.74 g/mol, XLogP of 6.90, 9 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]oxyoctanoate is sourced from PubChem (CID 91719363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).