tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate

C21H46O4Si2 — CID 156726760

IUPACtert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
SMILESCC(CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C21H46O4Si2/c1-17(14-18(22)25-19(2,3)4)15-23-27(13,21(8,9)10)16-24-26(11,12)20(5,6)7/h17H,14-16H2,1-13H3
InChIKeyPWVYSQCTLOXSSE-UHFFFAOYSA-N
MW418.77 g/mol
LogP6.31
Rot. Bonds8

About tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate

tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate (PubChem CID 156726760) has the molecular formula C21H46O4Si2 and a molecular weight of 418.77 g/mol. Its IUPAC name is tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
PubChem CID156726760
Molecular FormulaC21H46O4Si2
Molecular Weight418.77 g/mol
Exact Mass418.29
IUPAC Nametert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
SMILESCC(CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C21H46O4Si2/c1-17(14-18(22)25-19(2,3)4)15-23-27(13,21(8,9)10)16-24-26(11,12)20(5,6)7/h17H,14-16H2,1-13H3
InChIKeyPWVYSQCTLOXSSE-UHFFFAOYSA-N
XLogP6.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?
The IUPAC name of tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate (CID 156726760) is tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate.
What is the SMILES notation for tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?
The canonical SMILES for tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate is CC(CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?
The InChIKey is PWVYSQCTLOXSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O4Si2/c1-17(14-18(22)25-19(2,3)4)15-23-27(13,21(8,9)10)16-24-26(11,12)20(5,6)7/h17H,14-16H2,1-13H3.
What are the key properties of tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?
tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate has a molecular weight of 418.77 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate is sourced from PubChem (CID 156726760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).