ethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate

C16H32O5Si — CID 162513787

IUPACethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate
SMILESCCOC(=O)CCCCC(=O)CCOCOCC[Si](C)(C)C
InChIInChI=1S/C16H32O5Si/c1-5-21-16(18)9-7-6-8-15(17)10-11-19-14-20-12-13-22(2,3)4/h5-14H2,1-4H3
InChIKeyMKQHNZHJKDZAKU-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.40
Rot. Bonds14

About ethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate

ethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate (PubChem CID 162513787) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is ethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate.

Molecular Properties

Compound Nameethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate
PubChem CID162513787
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Nameethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate
SMILESCCOC(=O)CCCCC(=O)CCOCOCC[Si](C)(C)C
InChIInChI=1S/C16H32O5Si/c1-5-21-16(18)9-7-6-8-15(17)10-11-19-14-20-12-13-22(2,3)4/h5-14H2,1-4H3
InChIKeyMKQHNZHJKDZAKU-UHFFFAOYSA-N
XLogP3.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate?
The IUPAC name of ethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate (CID 162513787) is ethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate.
What is the SMILES notation for ethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate?
The canonical SMILES for ethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate is CCOC(=O)CCCCC(=O)CCOCOCC[Si](C)(C)C.
What is the InChIKey of ethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate?
The InChIKey is MKQHNZHJKDZAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-5-21-16(18)9-7-6-8-15(17)10-11-19-14-20-12-13-22(2,3)4/h5-14H2,1-4H3.
What are the key properties of ethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate?
ethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate has a molecular weight of 332.51 g/mol, XLogP of 3.40, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate is sourced from PubChem (CID 162513787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).