1-O-ethyl 5-O-trimethylsilyl pentanedioate

C10H20O4Si — CID 552371

IUPAC1-O-ethyl 5-O-trimethylsilyl pentanedioate
SMILESCCOC(=O)CCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H20O4Si/c1-5-13-9(11)7-6-8-10(12)14-15(2,3)4/h5-8H2,1-4H3
InChIKeyYYIAWZITEMQFJT-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.10
Rot. Bonds6

About 1-O-ethyl 5-O-trimethylsilyl pentanedioate

1-O-ethyl 5-O-trimethylsilyl pentanedioate (PubChem CID 552371) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-O-ethyl 5-O-trimethylsilyl pentanedioate.

Molecular Properties

Compound Name1-O-ethyl 5-O-trimethylsilyl pentanedioate
PubChem CID552371
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name1-O-ethyl 5-O-trimethylsilyl pentanedioate
SMILESCCOC(=O)CCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H20O4Si/c1-5-13-9(11)7-6-8-10(12)14-15(2,3)4/h5-8H2,1-4H3
InChIKeyYYIAWZITEMQFJT-UHFFFAOYSA-N
XLogP2.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.10
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 1-O-ethyl 5-O-trimethylsilyl pentanedioate?
The IUPAC name of 1-O-ethyl 5-O-trimethylsilyl pentanedioate (CID 552371) is 1-O-ethyl 5-O-trimethylsilyl pentanedioate.
What is the SMILES notation for 1-O-ethyl 5-O-trimethylsilyl pentanedioate?
The canonical SMILES for 1-O-ethyl 5-O-trimethylsilyl pentanedioate is CCOC(=O)CCCC(=O)O[Si](C)(C)C.
What is the InChIKey of 1-O-ethyl 5-O-trimethylsilyl pentanedioate?
The InChIKey is YYIAWZITEMQFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-5-13-9(11)7-6-8-10(12)14-15(2,3)4/h5-8H2,1-4H3.
What are the key properties of 1-O-ethyl 5-O-trimethylsilyl pentanedioate?
1-O-ethyl 5-O-trimethylsilyl pentanedioate has a molecular weight of 232.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 5-O-trimethylsilyl pentanedioate is sourced from PubChem (CID 552371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).