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

C12H24O3Si — CID 23182666

IUPAC[tert-butyl(dimethyl)silyl] 6-oxohexanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCCC=O
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-11(14)9-7-6-8-10-13/h10H,6-9H2,1-5H3
InChIKeyZBGSMUACSXJUMU-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.29
Rot. Bonds6

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

[tert-butyl(dimethyl)silyl] 6-oxohexanoate (PubChem CID 23182666) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 6-oxohexanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 6-oxohexanoate
PubChem CID23182666
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name[tert-butyl(dimethyl)silyl] 6-oxohexanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCCC=O
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-11(14)9-7-6-8-10-13/h10H,6-9H2,1-5H3
InChIKeyZBGSMUACSXJUMU-UHFFFAOYSA-N
XLogP3.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 [tert-butyl(dimethyl)silyl] 6-oxohexanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 6-oxohexanoate (CID 23182666) is [tert-butyl(dimethyl)silyl] 6-oxohexanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 6-oxohexanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 6-oxohexanoate is CC(C)(C)[Si](C)(C)OC(=O)CCCCC=O.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 6-oxohexanoate?
The InChIKey is ZBGSMUACSXJUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-11(14)9-7-6-8-10-13/h10H,6-9H2,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 6-oxohexanoate?
[tert-butyl(dimethyl)silyl] 6-oxohexanoate has a molecular weight of 244.41 g/mol, XLogP of 3.29, 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] 6-oxohexanoate is sourced from PubChem (CID 23182666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).