[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate

C23H50O3Si2 — CID 91753824

IUPAC[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
SMILESCCCCCCC(C)C(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O3Si2/c1-13-14-15-16-17-19(2)20(25-27(9,10)22(3,4)5)18-21(24)26-28(11,12)23(6,7)8/h19-20H,13-18H2,1-12H3
InChIKeyFIBVKCPVVPMABT-UHFFFAOYSA-N
MW430.82 g/mol
LogP7.92
Rot. Bonds11

About [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate

[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate (PubChem CID 91753824) has the molecular formula C23H50O3Si2 and a molecular weight of 430.82 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
PubChem CID91753824
Molecular FormulaC23H50O3Si2
Molecular Weight430.82 g/mol
Exact Mass430.33
IUPAC Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
SMILESCCCCCCC(C)C(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O3Si2/c1-13-14-15-16-17-19(2)20(25-27(9,10)22(3,4)5)18-21(24)26-28(11,12)23(6,7)8/h19-20H,13-18H2,1-12H3
InChIKeyFIBVKCPVVPMABT-UHFFFAOYSA-N
XLogP7.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.82
LogP ≤ 57.92
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

Trimethylsilyl 3-trimethylsilyloxydecanoate
CID 553117
(3S,4S)-4-[(S)-2-(tert-butyldimethylsiloxy)tridecyl]-3-hexyl-2-oxetanone
CID 11583592
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
2-Propyl-3-hydroxypentanoic acid, diTMS
CID 523703
Bis(trimethylsilyl) 3-[(trimethylsilyl)oxy]dodecanedioate
CID 528647
Bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate
CID 528648
3-Trimethylsiloxyoctanoic acid, trimethylsilyl ester
CID 553092
Decanedioic acid, 3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 553954
3-Hydroxy-arachidic, methyl ester, 3-tBDMS ether
CID 526802
3-Trimethylsiloxymyristic acid, trimethylsilyl ester
CID 553557
Trimethylsilyl 3,12-bis(trimethylsilyloxy)dodecanoate
CID 173952176
(3R,5S,6S)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-3,5-dimethyloxan-2-one
CID 10615212

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate (CID 91753824) is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate is CCCCCCC(C)C(CC(=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] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate?
The InChIKey is FIBVKCPVVPMABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O3Si2/c1-13-14-15-16-17-19(2)20(25-27(9,10)22(3,4)5)18-21(24)26-28(11,12)23(6,7)8/h19-20H,13-18H2,1-12H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate?
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate has a molecular weight of 430.82 g/mol, XLogP of 7.92, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate is sourced from PubChem (CID 91753824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).