[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate

C17H38O3Si2 — CID 22907893

IUPAC[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCC(C)(C)[Si](C)(C)OCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-14-12-11-13-15(18)20-22(9,10)17(4,5)6/h11-14H2,1-10H3
InChIKeyTZSGADVRWSQOLG-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.73
Rot. Bonds7

About [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate

[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate (PubChem CID 22907893) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
PubChem CID22907893
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCC(C)(C)[Si](C)(C)OCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-14-12-11-13-15(18)20-22(9,10)17(4,5)6/h11-14H2,1-10H3
InChIKeyTZSGADVRWSQOLG-UHFFFAOYSA-N
XLogP5.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.73
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

bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] 5-fluoropentanoate
CID 87739176
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
[tert-butyl(dimethyl)silyl] (E)-octadec-11-enoate
CID 91743170
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
[tert-butyl(dimethyl)silyl] 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate
CID 91743862

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate (CID 22907893) is [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate is CC(C)(C)[Si](C)(C)OCCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate?
The InChIKey is TZSGADVRWSQOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-14-12-11-13-15(18)20-22(9,10)17(4,5)6/h11-14H2,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate?
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate has a molecular weight of 346.66 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate is sourced from PubChem (CID 22907893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).