bis(trimethylsilyl) 2,2-dipropylpropanedioate

C15H32O4Si2 — CID 621125

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

About bis(trimethylsilyl) 2,2-dipropylpropanedioate

bis(trimethylsilyl) 2,2-dipropylpropanedioate (PubChem CID 621125) has the molecular formula C15H32O4Si2 and a molecular weight of 332.59 g/mol. Its IUPAC name is bis(trimethylsilyl) 2,2-dipropylpropanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2,2-dipropylpropanedioate
PubChem CID621125
Molecular FormulaC15H32O4Si2
Molecular Weight332.59 g/mol
Exact Mass332.18
IUPAC Namebis(trimethylsilyl) 2,2-dipropylpropanedioate
SMILESCCCC(CCC)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O4Si2/c1-9-11-15(12-10-2,13(16)18-20(3,4)5)14(17)19-21(6,7)8/h9-12H2,1-8H3
InChIKeyDWLIUIJNJMCHOA-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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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2,2-dipropylpropanedioate?
The IUPAC name of bis(trimethylsilyl) 2,2-dipropylpropanedioate (CID 621125) is bis(trimethylsilyl) 2,2-dipropylpropanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2,2-dipropylpropanedioate?
The canonical SMILES for bis(trimethylsilyl) 2,2-dipropylpropanedioate is CCCC(CCC)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2,2-dipropylpropanedioate?
The InChIKey is DWLIUIJNJMCHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si2/c1-9-11-15(12-10-2,13(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) 2,2-dipropylpropanedioate?
bis(trimethylsilyl) 2,2-dipropylpropanedioate 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) 2,2-dipropylpropanedioate is sourced from PubChem (CID 621125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).