methyl 6-trimethylsilyloxyheptanoate

C11H24O3Si — CID 552382

IUPACmethyl 6-trimethylsilyloxyheptanoate
SMILESCOC(=O)CCCCC(C)O[Si](C)(C)C
InChIInChI=1S/C11H24O3Si/c1-10(14-15(3,4)5)8-6-7-9-11(12)13-2/h10H,6-9H2,1-5H3
InChIKeyRUFZUENRSLGFQX-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.96
Rot. Bonds7

About methyl 6-trimethylsilyloxyheptanoate

methyl 6-trimethylsilyloxyheptanoate (PubChem CID 552382) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is methyl 6-trimethylsilyloxyheptanoate.

Molecular Properties

Compound Namemethyl 6-trimethylsilyloxyheptanoate
PubChem CID552382
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Namemethyl 6-trimethylsilyloxyheptanoate
SMILESCOC(=O)CCCCC(C)O[Si](C)(C)C
InChIInChI=1S/C11H24O3Si/c1-10(14-15(3,4)5)8-6-7-9-11(12)13-2/h10H,6-9H2,1-5H3
InChIKeyRUFZUENRSLGFQX-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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 6-trimethylsilyloxyheptanoate?
The IUPAC name of methyl 6-trimethylsilyloxyheptanoate (CID 552382) is methyl 6-trimethylsilyloxyheptanoate.
What is the SMILES notation for methyl 6-trimethylsilyloxyheptanoate?
The canonical SMILES for methyl 6-trimethylsilyloxyheptanoate is COC(=O)CCCCC(C)O[Si](C)(C)C.
What is the InChIKey of methyl 6-trimethylsilyloxyheptanoate?
The InChIKey is RUFZUENRSLGFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-10(14-15(3,4)5)8-6-7-9-11(12)13-2/h10H,6-9H2,1-5H3.
What are the key properties of methyl 6-trimethylsilyloxyheptanoate?
methyl 6-trimethylsilyloxyheptanoate has a molecular weight of 232.40 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-trimethylsilyloxyheptanoate is sourced from PubChem (CID 552382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).