2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid

C24H54O4Si4 — CID 18684364

IUPAC2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid
SMILESCCC(C)(CC(C)(C)C(=O)OC(C)(C)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(=O)O
InChIInChI=1S/C24H54O4Si4/c1-16-24(6,20(25)26)19-22(2,3)21(27)28-23(4,5)17-18-32(29(7,8)9,30(10,11)12)31(13,14)15/h16-19H2,1-15H3,(H,25,26)
InChIKeyVQUVTFFFAOMBSF-UHFFFAOYSA-N
MW519.04 g/mol
LogP7.31
Rot. Bonds12

About 2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid

2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid (PubChem CID 18684364) has the molecular formula C24H54O4Si4 and a molecular weight of 519.04 g/mol. Its IUPAC name is 2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid
PubChem CID18684364
Molecular FormulaC24H54O4Si4
Molecular Weight519.04 g/mol
Exact Mass518.31
IUPAC Name2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid
SMILESCCC(C)(CC(C)(C)C(=O)OC(C)(C)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(=O)O
InChIInChI=1S/C24H54O4Si4/c1-16-24(6,20(25)26)19-22(2,3)21(27)28-23(4,5)17-18-32(29(7,8)9,30(10,11)12)31(13,14)15/h16-19H2,1-15H3,(H,25,26)
InChIKeyVQUVTFFFAOMBSF-UHFFFAOYSA-N
XLogP7.31
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.04
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethyl-4-methoxycarbonyl-2,6,6-trimethyl-7-(2-methyl-4-trimethylsilylbutan-2-yl)oxy-7-oxoheptanoic acid
CID 18684365
2-Ethyl-4-methoxycarbonyl-2,4,6,6-tetramethyl-7-[2-methyl-4-tris(trimethylsilyloxy)silylbutan-2-yl]oxy-7-oxoheptanoic acid
CID 18684366
2-Ethyl-4-methoxycarbonyl-2,6,6-trimethyl-7-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-7-oxoheptanoic acid
CID 18684367
4-Methoxycarbonyl-2,4,6,6-tetramethyl-2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butyl]-7-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-7-oxoheptanoic acid
CID 18684368
4-Methoxycarbonyl-2,4,6-trimethyl-2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butyl]-7-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-7-oxoheptanoic acid
CID 18684370
2-Ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid
CID 58351310
5-[2-[4-[2-[Butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid
CID 89811896
5-[2-[4-[2-[Butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]hexoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid
CID 89811915
1-O-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 5-O-[3-[hydroxy(dimethyl)silyl]propyl] 2-ethyl-2,4,4-trimethylpentanedioate
CID 141672586
2-Ethyl-2,4,4-trimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;methane;yttrium
CID 158929743
1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid
CID 159502515
1-O-[3-[bis(hydroxymethyl)-methoxysilyl]propyl] 5-O-methyl 4-ethyl-2,2,4-trimethylpentanedioate
CID 159823192

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid?
The IUPAC name of 2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid (CID 18684364) is 2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid.
What is the SMILES notation for 2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid?
The canonical SMILES for 2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid is CCC(C)(CC(C)(C)C(=O)OC(C)(C)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid?
The InChIKey is VQUVTFFFAOMBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54O4Si4/c1-16-24(6,20(25)26)19-22(2,3)21(27)28-23(4,5)17-18-32(29(7,8)9,30(10,11)12)31(13,14)15/h16-19H2,1-15H3,(H,25,26).
What are the key properties of 2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid?
2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid has a molecular weight of 519.04 g/mol, XLogP of 7.31, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid is sourced from PubChem (CID 18684364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).