[5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate

C13H26O4Si — CID 134858788

IUPAC[5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate
SMILESCC(=O)OCC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-11(14)16-10-12(15)8-7-9-17-18(5,6)13(2,3)4/h7-10H2,1-6H3
InChIKeySBQDSSOEVTVDOA-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.92
Rot. Bonds7

About [5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate

[5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate (PubChem CID 134858788) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate.

Molecular Properties

Compound Name[5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate
PubChem CID134858788
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name[5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate
SMILESCC(=O)OCC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-11(14)16-10-12(15)8-7-9-17-18(5,6)13(2,3)4/h7-10H2,1-6H3
InChIKeySBQDSSOEVTVDOA-UHFFFAOYSA-N
XLogP2.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate
CID 101365194
Ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate
CID 87894585
Bis(1-trimethylsilylethyl) 2-oxopentanedioate
CID 145777145
5-[Tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate
CID 11174159
4,5-Dioxo-5-(1-trimethylsilylethoxy)pentanoate
CID 20030932
4,5-Dioxo-5-[2-(trimethylsilyl)ethoxy]pentanoate
CID 71338744

Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate?
The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate (CID 134858788) is [5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate.
What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate?
The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate is CC(=O)OCC(=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate?
The InChIKey is SBQDSSOEVTVDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-11(14)16-10-12(15)8-7-9-17-18(5,6)13(2,3)4/h7-10H2,1-6H3.
What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate?
[5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate has a molecular weight of 274.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate is sourced from PubChem (CID 134858788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).