bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate

C17H36O4Si2 — CID 87139235

IUPACbis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate
SMILESCC(C)(CC(=O)OCC[Si](C)(C)C)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-17(2,13-15(18)20-9-11-22(3,4)5)14-16(19)21-10-12-23(6,7)8/h9-14H2,1-8H3
InChIKeyGZFYMEZKAZPSBM-UHFFFAOYSA-N
MW360.64 g/mol
LogP4.56
Rot. Bonds10

About bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate

bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate (PubChem CID 87139235) has the molecular formula C17H36O4Si2 and a molecular weight of 360.64 g/mol. Its IUPAC name is bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate.

Molecular Properties

Compound Namebis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate
PubChem CID87139235
Molecular FormulaC17H36O4Si2
Molecular Weight360.64 g/mol
Exact Mass360.22
IUPAC Namebis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate
SMILESCC(C)(CC(=O)OCC[Si](C)(C)C)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-17(2,13-15(18)20-9-11-22(3,4)5)14-16(19)21-10-12-23(6,7)8/h9-14H2,1-8H3
InChIKeyGZFYMEZKAZPSBM-UHFFFAOYSA-N
XLogP4.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 54.56
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(2-trimethylsilylethyl) 3,3-dimethylpentanedioate?
The IUPAC name of bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate (CID 87139235) is bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate.
What is the SMILES notation for bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate?
The canonical SMILES for bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate is CC(C)(CC(=O)OCC[Si](C)(C)C)CC(=O)OCC[Si](C)(C)C.
What is the InChIKey of bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate?
The InChIKey is GZFYMEZKAZPSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si2/c1-17(2,13-15(18)20-9-11-22(3,4)5)14-16(19)21-10-12-23(6,7)8/h9-14H2,1-8H3.
What are the key properties of bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate?
bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate has a molecular weight of 360.64 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate is sourced from PubChem (CID 87139235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).