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

C18H40O3Si2 — CID 598628

IUPAC[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCC(CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-15(20-22(8,9)17(2,3)4)13-12-14-16(19)21-23(10,11)18(5,6)7/h15H,12-14H2,1-11H3
InChIKeyHBRUZADUVBSTCI-UHFFFAOYSA-N
MW360.69 g/mol
LogP6.12
Rot. Bonds7

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

[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxyhexanoate (PubChem CID 598628) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxyhexanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxyhexanoate
PubChem CID598628
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCC(CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-15(20-22(8,9)17(2,3)4)13-12-14-16(19)21-23(10,11)18(5,6)7/h15H,12-14H2,1-11H3
InChIKeyHBRUZADUVBSTCI-UHFFFAOYSA-N
XLogP6.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 56.12
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

5-((Tert-butyldimethylsilyl)oxy)hexanoic acid
CID 123255894
5-Hydroxyhexanoic acid diTMS
CID 526007
Hexanedioic acid, 2-trimethylsilyloxy-, bis(trimethylsilyl) ester
CID 533402
[Tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 15838476
(5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid
CID 166449040
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate
CID 166449043
3,4-Dideoxyhexaric acid, TMS
CID 523344
3,4-Dideoxyhexonic acid, tetrakis-TMS
CID 523345
2-Deoxyribonic acid, TMS
CID 91753756
Hexanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester, (DL)-
CID 553036
tert-butyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyheptanoate
CID 10903191
Ethyl 5(r)-t-butyldimethylsilyloxyhexanoate
CID 10516491

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxyhexanoate (CID 598628) is [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxyhexanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxyhexanoate is CC(CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The InChIKey is HBRUZADUVBSTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-15(20-22(8,9)17(2,3)4)13-12-14-16(19)21-23(10,11)18(5,6)7/h15H,12-14H2,1-11H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxyhexanoate?
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxyhexanoate has a molecular weight of 360.69 g/mol, XLogP of 6.12, 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]oxyhexanoate is sourced from PubChem (CID 598628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).