methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate

C11H24O3Si — CID 15399104

IUPACmethyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate
SMILESCOC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-11(2,3)15(5,6)14-9-7-8-10(12)13-4/h7-9H2,1-6H3
InChIKeyDTPRWPGPBPLVRS-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.96
Rot. Bonds5

About methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate

methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate (PubChem CID 15399104) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate
PubChem CID15399104
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Namemethyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate
SMILESCOC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-11(2,3)15(5,6)14-9-7-8-10(12)13-4/h7-9H2,1-6H3
InChIKeyDTPRWPGPBPLVRS-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate?
The IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate (CID 15399104) is methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate.
What is the SMILES notation for methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate?
The canonical SMILES for methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate is COC(=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate?
The InChIKey is DTPRWPGPBPLVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-11(2,3)15(5,6)14-9-7-8-10(12)13-4/h7-9H2,1-6H3.
What are the key properties of methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate?
methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate has a molecular weight of 232.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl(dimethyl)silyl]oxybutanoate is sourced from PubChem (CID 15399104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).