[tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate

C13H26O3Si — CID 18964710

IUPAC[tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate
SMILESCC(C=O)CCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(10-14)8-7-9-12(15)16-17(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3
InChIKeyCXSUHFIHHUBITG-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.54
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate

[tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate (PubChem CID 18964710) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate
PubChem CID18964710
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name[tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate
SMILESCC(C=O)CCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(10-14)8-7-9-12(15)16-17(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3
InChIKeyCXSUHFIHHUBITG-UHFFFAOYSA-N
XLogP3.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate (CID 18964710) is [tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate is CC(C=O)CCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate?
The InChIKey is CXSUHFIHHUBITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-11(10-14)8-7-9-12(15)16-17(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate?
[tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate has a molecular weight of 258.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate is sourced from PubChem (CID 18964710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).