2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane

C20H46O6Si2 — CID 158575016

IUPAC2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane
SMILESCCCOCC.CCOCCOC(=O)CCC(C)=O.C[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C9H16O4.C6H18OSi2.C5H12O/c1-3-12-6-7-13-9(11)5-4-8(2)10;1-8(2,3)7-9(4,5)6;1-3-5-6-4-2/h3-7H2,1-2H3;1-6H3;3-5H2,1-2H3
InChIKeyHSNZXHIAYBGEJA-UHFFFAOYSA-N
MW438.75 g/mol
LogP5.04
Rot. Bonds12

About 2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane

2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane (PubChem CID 158575016) has the molecular formula C20H46O6Si2 and a molecular weight of 438.75 g/mol. Its IUPAC name is 2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane.

Molecular Properties

Compound Name2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane
PubChem CID158575016
Molecular FormulaC20H46O6Si2
Molecular Weight438.75 g/mol
Exact Mass438.28
IUPAC Name2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane
SMILESCCCOCC.CCOCCOC(=O)CCC(C)=O.C[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C9H16O4.C6H18OSi2.C5H12O/c1-3-12-6-7-13-9(11)5-4-8(2)10;1-8(2,3)7-9(4,5)6;1-3-5-6-4-2/h3-7H2,1-2H3;1-6H3;3-5H2,1-2H3
InChIKeyHSNZXHIAYBGEJA-UHFFFAOYSA-N
XLogP5.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.75
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl 4-oxopentanoate
CID 22556205
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate
CID 158036781
4-O-(2-ethoxyethyl) 1-O-octyl butanedioate
CID 91701867
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
4-oxo-4-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]butanoic acid;2-(2-propanoyloxyethoxy)ethyl propanoate
CID 160907308
4-O-[3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxy-2,2-bis[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxymethyl]propyl] 1-O-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] butanedioate
CID 88853370
2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate
CID 150033358
bis(3-ethoxypropyl) butanedioate
CID 101278689
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate
CID 91739044
4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid
CID 58559856

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane?
The IUPAC name of 2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane (CID 158575016) is 2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane.
What is the SMILES notation for 2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane?
The canonical SMILES for 2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane is CCCOCC.CCOCCOC(=O)CCC(C)=O.C[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane?
The InChIKey is HSNZXHIAYBGEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.C6H18OSi2.C5H12O/c1-3-12-6-7-13-9(11)5-4-8(2)10;1-8(2,3)7-9(4,5)6;1-3-5-6-4-2/h3-7H2,1-2H3;1-6H3;3-5H2,1-2H3.
What are the key properties of 2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane?
2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane has a molecular weight of 438.75 g/mol, XLogP of 5.04, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane is sourced from PubChem (CID 158575016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).