bis(trimethylsilyl) 2,2,3-trimethylpentanedioate

C14H30O4Si2 — CID 552453

IUPACbis(trimethylsilyl) 2,2,3-trimethylpentanedioate
SMILESCC(CC(=O)O[Si](C)(C)C)C(C)(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-11(10-12(15)17-19(4,5)6)14(2,3)13(16)18-20(7,8)9/h11H,10H2,1-9H3
InChIKeyFCGMILWDOUYMRY-UHFFFAOYSA-N
MW318.56 g/mol
LogP3.80
Rot. Bonds6

About bis(trimethylsilyl) 2,2,3-trimethylpentanedioate

bis(trimethylsilyl) 2,2,3-trimethylpentanedioate (PubChem CID 552453) has the molecular formula C14H30O4Si2 and a molecular weight of 318.56 g/mol. Its IUPAC name is bis(trimethylsilyl) 2,2,3-trimethylpentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2,2,3-trimethylpentanedioate
PubChem CID552453
Molecular FormulaC14H30O4Si2
Molecular Weight318.56 g/mol
Exact Mass318.17
IUPAC Namebis(trimethylsilyl) 2,2,3-trimethylpentanedioate
SMILESCC(CC(=O)O[Si](C)(C)C)C(C)(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-11(10-12(15)17-19(4,5)6)14(2,3)13(16)18-20(7,8)9/h11H,10H2,1-9H3
InChIKeyFCGMILWDOUYMRY-UHFFFAOYSA-N
XLogP3.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2,2,3-trimethylpentanedioate?
The IUPAC name of bis(trimethylsilyl) 2,2,3-trimethylpentanedioate (CID 552453) is bis(trimethylsilyl) 2,2,3-trimethylpentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2,2,3-trimethylpentanedioate?
The canonical SMILES for bis(trimethylsilyl) 2,2,3-trimethylpentanedioate is CC(CC(=O)O[Si](C)(C)C)C(C)(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2,2,3-trimethylpentanedioate?
The InChIKey is FCGMILWDOUYMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si2/c1-11(10-12(15)17-19(4,5)6)14(2,3)13(16)18-20(7,8)9/h11H,10H2,1-9H3.
What are the key properties of bis(trimethylsilyl) 2,2,3-trimethylpentanedioate?
bis(trimethylsilyl) 2,2,3-trimethylpentanedioate has a molecular weight of 318.56 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2,2,3-trimethylpentanedioate is sourced from PubChem (CID 552453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).