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

C19H40O5Si2 — CID 175579113

IUPACtrimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate
SMILESCCC(CCCC(=O)CCOCOCC[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H40O5Si2/c1-8-17(19(21)24-26(5,6)7)10-9-11-18(20)12-13-22-16-23-14-15-25(2,3)4/h17H,8-16H2,1-7H3
InChIKeySSVDTIONJONDNZ-UHFFFAOYSA-N
MW404.70 g/mol
LogP4.85
Rot. Bonds15

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

trimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate (PubChem CID 175579113) has the molecular formula C19H40O5Si2 and a molecular weight of 404.70 g/mol. Its IUPAC name is trimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate
PubChem CID175579113
Molecular FormulaC19H40O5Si2
Molecular Weight404.70 g/mol
Exact Mass404.24
IUPAC Nametrimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate
SMILESCCC(CCCC(=O)CCOCOCC[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H40O5Si2/c1-8-17(19(21)24-26(5,6)7)10-9-11-18(20)12-13-22-16-23-14-15-25(2,3)4/h17H,8-16H2,1-7H3
InChIKeySSVDTIONJONDNZ-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
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 trimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate?
The IUPAC name of trimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate (CID 175579113) is trimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate.
What is the SMILES notation for trimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate?
The canonical SMILES for trimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate is CCC(CCCC(=O)CCOCOCC[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate?
The InChIKey is SSVDTIONJONDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O5Si2/c1-8-17(19(21)24-26(5,6)7)10-9-11-18(20)12-13-22-16-23-14-15-25(2,3)4/h17H,8-16H2,1-7H3.
What are the key properties of trimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate?
trimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate has a molecular weight of 404.70 g/mol, XLogP of 4.85, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate is sourced from PubChem (CID 175579113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).