ethyl 5-methyl-5-trimethylsilyloxyhexanoate

C12H26O3Si — CID 22214162

IUPACethyl 5-methyl-5-trimethylsilyloxyhexanoate
SMILESCCOC(=O)CCCC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si/c1-7-14-11(13)9-8-10-12(2,3)15-16(4,5)6/h7-10H2,1-6H3
InChIKeyODNQGQNOLMZKJN-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.35
Rot. Bonds7

About ethyl 5-methyl-5-trimethylsilyloxyhexanoate

ethyl 5-methyl-5-trimethylsilyloxyhexanoate (PubChem CID 22214162) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is ethyl 5-methyl-5-trimethylsilyloxyhexanoate.

Molecular Properties

Compound Nameethyl 5-methyl-5-trimethylsilyloxyhexanoate
PubChem CID22214162
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Nameethyl 5-methyl-5-trimethylsilyloxyhexanoate
SMILESCCOC(=O)CCCC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si/c1-7-14-11(13)9-8-10-12(2,3)15-16(4,5)6/h7-10H2,1-6H3
InChIKeyODNQGQNOLMZKJN-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-5-trimethylsilyloxyhexanoate?
The IUPAC name of ethyl 5-methyl-5-trimethylsilyloxyhexanoate (CID 22214162) is ethyl 5-methyl-5-trimethylsilyloxyhexanoate.
What is the SMILES notation for ethyl 5-methyl-5-trimethylsilyloxyhexanoate?
The canonical SMILES for ethyl 5-methyl-5-trimethylsilyloxyhexanoate is CCOC(=O)CCCC(C)(C)O[Si](C)(C)C.
What is the InChIKey of ethyl 5-methyl-5-trimethylsilyloxyhexanoate?
The InChIKey is ODNQGQNOLMZKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-7-14-11(13)9-8-10-12(2,3)15-16(4,5)6/h7-10H2,1-6H3.
What are the key properties of ethyl 5-methyl-5-trimethylsilyloxyhexanoate?
ethyl 5-methyl-5-trimethylsilyloxyhexanoate has a molecular weight of 246.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-5-trimethylsilyloxyhexanoate is sourced from PubChem (CID 22214162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).