6-oxo-6-trimethylsilyloxyhexanoic acid

C9H18O4Si — CID 57264864

IUPAC6-oxo-6-trimethylsilyloxyhexanoic acid
SMILESC[Si](C)(C)OC(=O)CCCCC(=O)O
InChIInChI=1S/C9H18O4Si/c1-14(2,3)13-9(12)7-5-4-6-8(10)11/h4-7H2,1-3H3,(H,10,11)
InChIKeyNXRUXRPNYSMFBT-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.01
Rot. Bonds6

About 6-oxo-6-trimethylsilyloxyhexanoic acid

6-oxo-6-trimethylsilyloxyhexanoic acid (PubChem CID 57264864) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is 6-oxo-6-trimethylsilyloxyhexanoic acid.

Molecular Properties

Compound Name6-oxo-6-trimethylsilyloxyhexanoic acid
PubChem CID57264864
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name6-oxo-6-trimethylsilyloxyhexanoic acid
SMILESC[Si](C)(C)OC(=O)CCCCC(=O)O
InChIInChI=1S/C9H18O4Si/c1-14(2,3)13-9(12)7-5-4-6-8(10)11/h4-7H2,1-3H3,(H,10,11)
InChIKeyNXRUXRPNYSMFBT-UHFFFAOYSA-N
XLogP2.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
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 6-oxo-6-trimethylsilyloxyhexanoic acid?
The IUPAC name of 6-oxo-6-trimethylsilyloxyhexanoic acid (CID 57264864) is 6-oxo-6-trimethylsilyloxyhexanoic acid.
What is the SMILES notation for 6-oxo-6-trimethylsilyloxyhexanoic acid?
The canonical SMILES for 6-oxo-6-trimethylsilyloxyhexanoic acid is C[Si](C)(C)OC(=O)CCCCC(=O)O.
What is the InChIKey of 6-oxo-6-trimethylsilyloxyhexanoic acid?
The InChIKey is NXRUXRPNYSMFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-14(2,3)13-9(12)7-5-4-6-8(10)11/h4-7H2,1-3H3,(H,10,11).
What are the key properties of 6-oxo-6-trimethylsilyloxyhexanoic acid?
6-oxo-6-trimethylsilyloxyhexanoic acid has a molecular weight of 218.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-trimethylsilyloxyhexanoic acid is sourced from PubChem (CID 57264864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).