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

C18H40O4Si2 — CID 156726768

IUPACmethyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
SMILESCOC(=O)CC(C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H40O4Si2/c1-15(12-16(19)20-8)13-21-24(11,18(5,6)7)14-22-23(9,10)17(2,3)4/h15H,12-14H2,1-11H3
InChIKeyQBJFTIRMMJUKCO-UHFFFAOYSA-N
MW376.69 g/mol
LogP5.14
Rot. Bonds8

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

methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate (PubChem CID 156726768) has the molecular formula C18H40O4Si2 and a molecular weight of 376.69 g/mol. Its IUPAC name is methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
PubChem CID156726768
Molecular FormulaC18H40O4Si2
Molecular Weight376.69 g/mol
Exact Mass376.25
IUPAC Namemethyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
SMILESCOC(=O)CC(C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H40O4Si2/c1-15(12-16(19)20-8)13-21-24(11,18(5,6)7)14-22-23(9,10)17(2,3)4/h15H,12-14H2,1-11H3
InChIKeyQBJFTIRMMJUKCO-UHFFFAOYSA-N
XLogP5.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.69
LogP ≤ 55.14
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 methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?
The IUPAC name of methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate (CID 156726768) is methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate.
What is the SMILES notation for methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?
The canonical SMILES for methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate is COC(=O)CC(C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?
The InChIKey is QBJFTIRMMJUKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O4Si2/c1-15(12-16(19)20-8)13-21-24(11,18(5,6)7)14-22-23(9,10)17(2,3)4/h15H,12-14H2,1-11H3.
What are the key properties of methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?
methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate has a molecular weight of 376.69 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate is sourced from PubChem (CID 156726768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).