bis(trimethylsilyl) 2-methyl-2-propylpropanedioate

C13H28O4Si2 — CID 589986

IUPACbis(trimethylsilyl) 2-methyl-2-propylpropanedioate
SMILESCCCC(C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O4Si2/c1-9-10-13(2,11(14)16-18(3,4)5)12(15)17-19(6,7)8/h9-10H2,1-8H3
InChIKeyYLDQDIXKBCWXAX-UHFFFAOYSA-N
MW304.54 g/mol
LogP3.55
Rot. Bonds6

About bis(trimethylsilyl) 2-methyl-2-propylpropanedioate

bis(trimethylsilyl) 2-methyl-2-propylpropanedioate (PubChem CID 589986) has the molecular formula C13H28O4Si2 and a molecular weight of 304.54 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-methyl-2-propylpropanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-methyl-2-propylpropanedioate
PubChem CID589986
Molecular FormulaC13H28O4Si2
Molecular Weight304.54 g/mol
Exact Mass304.15
IUPAC Namebis(trimethylsilyl) 2-methyl-2-propylpropanedioate
SMILESCCCC(C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O4Si2/c1-9-10-13(2,11(14)16-18(3,4)5)12(15)17-19(6,7)8/h9-10H2,1-8H3
InChIKeyYLDQDIXKBCWXAX-UHFFFAOYSA-N
XLogP3.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.54
LogP ≤ 53.55
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-methyl-2-propylpropanedioate?
The IUPAC name of bis(trimethylsilyl) 2-methyl-2-propylpropanedioate (CID 589986) is bis(trimethylsilyl) 2-methyl-2-propylpropanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-methyl-2-propylpropanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-methyl-2-propylpropanedioate is CCCC(C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-methyl-2-propylpropanedioate?
The InChIKey is YLDQDIXKBCWXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si2/c1-9-10-13(2,11(14)16-18(3,4)5)12(15)17-19(6,7)8/h9-10H2,1-8H3.
What are the key properties of bis(trimethylsilyl) 2-methyl-2-propylpropanedioate?
bis(trimethylsilyl) 2-methyl-2-propylpropanedioate has a molecular weight of 304.54 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-methyl-2-propylpropanedioate is sourced from PubChem (CID 589986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).