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

C19H40O5Si2 — CID 175579112

IUPACethyl 6-oxo-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate
SMILESCCOC(=O)C(CCCC(=O)CCOCOCC[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H40O5Si2/c1-8-24-19(21)18(26(5,6)7)11-9-10-17(20)12-13-22-16-23-14-15-25(2,3)4/h18H,8-16H2,1-7H3
InChIKeyCUMNOXIEKDRLQW-UHFFFAOYSA-N
MW404.70 g/mol
LogP4.72
Rot. Bonds15

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

ethyl 6-oxo-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate (PubChem CID 175579112) has the molecular formula C19H40O5Si2 and a molecular weight of 404.70 g/mol. Its IUPAC name is ethyl 6-oxo-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate.

Molecular Properties

Compound Nameethyl 6-oxo-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate
PubChem CID175579112
Molecular FormulaC19H40O5Si2
Molecular Weight404.70 g/mol
Exact Mass404.24
IUPAC Nameethyl 6-oxo-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate
SMILESCCOC(=O)C(CCCC(=O)CCOCOCC[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H40O5Si2/c1-8-24-19(21)18(26(5,6)7)11-9-10-17(20)12-13-22-16-23-14-15-25(2,3)4/h18H,8-16H2,1-7H3
InChIKeyCUMNOXIEKDRLQW-UHFFFAOYSA-N
XLogP4.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.70
LogP ≤ 54.72
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-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate?
The IUPAC name of ethyl 6-oxo-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate (CID 175579112) is ethyl 6-oxo-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate.
What is the SMILES notation for ethyl 6-oxo-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate?
The canonical SMILES for ethyl 6-oxo-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate is CCOC(=O)C(CCCC(=O)CCOCOCC[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of ethyl 6-oxo-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate?
The InChIKey is CUMNOXIEKDRLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O5Si2/c1-8-24-19(21)18(26(5,6)7)11-9-10-17(20)12-13-22-16-23-14-15-25(2,3)4/h18H,8-16H2,1-7H3.
What are the key properties of ethyl 6-oxo-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate?
ethyl 6-oxo-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate has a molecular weight of 404.70 g/mol, XLogP of 4.72, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2-trimethylsilyl-8-(2-trimethylsilylethoxymethoxy)octanoate is sourced from PubChem (CID 175579112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).