bis(trimethylsilyl) 2-butyl-2-ethylpropanedioate

C15H32O4Si2 — CID 553120

IUPACbis(trimethylsilyl) 2-butyl-2-ethylpropanedioate
SMILESCCCCC(CC)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O4Si2/c1-9-11-12-15(10-2,13(16)18-20(3,4)5)14(17)19-21(6,7)8/h9-12H2,1-8H3
InChIKeyCGVCEYDSWWHRRN-UHFFFAOYSA-N
MW332.59 g/mol
LogP4.33
Rot. Bonds8

About bis(trimethylsilyl) 2-butyl-2-ethylpropanedioate

bis(trimethylsilyl) 2-butyl-2-ethylpropanedioate (PubChem CID 553120) has the molecular formula C15H32O4Si2 and a molecular weight of 332.59 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-butyl-2-ethylpropanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-butyl-2-ethylpropanedioate
PubChem CID553120
Molecular FormulaC15H32O4Si2
Molecular Weight332.59 g/mol
Exact Mass332.18
IUPAC Namebis(trimethylsilyl) 2-butyl-2-ethylpropanedioate
SMILESCCCCC(CC)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O4Si2/c1-9-11-12-15(10-2,13(16)18-20(3,4)5)14(17)19-21(6,7)8/h9-12H2,1-8H3
InChIKeyCGVCEYDSWWHRRN-UHFFFAOYSA-N
XLogP4.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Octane-2,2-dicarboxylic acid, bis(trimethylsilyl) ester
CID 552331
2-Methyl-3,3-dicarboxy-hexanoate, tris(trimethylsilyl)-(ester)
CID 553689
Pentane-2,2-dicarboxylic acid, bis(trimethylsilyl) ester
CID 589986
Di-n-propylmalonic acid, bis(trimethylsilyl) ester
CID 621125
Trimethylsilyl 2-ethyl-2-{[(2-ethylbutanoyl)oxy]methyl}hexanoate
CID 91696533
Dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 10948919
2-(2-Methylbutyl)-2-(trimethylsilylmethyl)propanedioate
CID 20979495
2-Ethyl-2-(1-trimethylsilylpropyl)propanedioate
CID 53422352

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-butyl-2-ethylpropanedioate?
The IUPAC name of bis(trimethylsilyl) 2-butyl-2-ethylpropanedioate (CID 553120) is bis(trimethylsilyl) 2-butyl-2-ethylpropanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-butyl-2-ethylpropanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-butyl-2-ethylpropanedioate is CCCCC(CC)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-butyl-2-ethylpropanedioate?
The InChIKey is CGVCEYDSWWHRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si2/c1-9-11-12-15(10-2,13(16)18-20(3,4)5)14(17)19-21(6,7)8/h9-12H2,1-8H3.
What are the key properties of bis(trimethylsilyl) 2-butyl-2-ethylpropanedioate?
bis(trimethylsilyl) 2-butyl-2-ethylpropanedioate has a molecular weight of 332.59 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-butyl-2-ethylpropanedioate is sourced from PubChem (CID 553120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).