1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate

C22H46O7Si2 — CID 59046597

IUPAC1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate
SMILESCOCCOCCOC(=O)C(C)(C)CC(C)(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C22H46O7Si2/c1-21(2,18-22(3,4)20(24)28-16-15-26-14-13-25-5)19(23)27-12-11-17-31(9,10)29-30(6,7)8/h11-18H2,1-10H3
InChIKeySNEDDQMAIDVRMU-UHFFFAOYSA-N
MW478.78 g/mol
LogP4.62
Rot. Bonds16

About 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate

1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate (PubChem CID 59046597) has the molecular formula C22H46O7Si2 and a molecular weight of 478.78 g/mol. Its IUPAC name is 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate.

Molecular Properties

Compound Name1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate
PubChem CID59046597
Molecular FormulaC22H46O7Si2
Molecular Weight478.78 g/mol
Exact Mass478.28
IUPAC Name1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate
SMILESCOCCOCCOC(=O)C(C)(C)CC(C)(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C22H46O7Si2/c1-21(2,18-22(3,4)20(24)28-16-15-26-14-13-25-5)19(23)27-12-11-17-31(9,10)29-30(6,7)8/h11-18H2,1-10H3
InChIKeySNEDDQMAIDVRMU-UHFFFAOYSA-N
XLogP4.62
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.78
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 59950490
2,2-Dimethylglutaric acid, TBDMS
CID 91752558
5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14569488
1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 20729167
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-(2-methoxyethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 53729023
1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate
CID 58108481
5-[2-[3-[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid
CID 58113138
5-[2-[3-[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid
CID 58113143
1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate
CID 58193638
1-O-(2-methoxyethyl) 5-O-[2-(3-trimethylsilylprop-2-ynoxy)ethyl] 2-ethyl-2,4,4-trimethylpentanedioate
CID 58462752
Bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate
CID 87139235
Dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate
CID 87206560

Frequently Asked Questions

What is the IUPAC name of 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate?
The IUPAC name of 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate (CID 59046597) is 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate.
What is the SMILES notation for 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate?
The canonical SMILES for 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate is COCCOCCOC(=O)C(C)(C)CC(C)(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate?
The InChIKey is SNEDDQMAIDVRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O7Si2/c1-21(2,18-22(3,4)20(24)28-16-15-26-14-13-25-5)19(23)27-12-11-17-31(9,10)29-30(6,7)8/h11-18H2,1-10H3.
What are the key properties of 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate?
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate has a molecular weight of 478.78 g/mol, XLogP of 4.62, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate is sourced from PubChem (CID 59046597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).