5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one

C15H36O6Si4 — CID 23502041

IUPAC5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one
SMILESC[Si](C)(C)O[Si](COCC1CCC(=O)O1)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H36O6Si4/c1-22(2,3)19-25(20-23(4,5)6,21-24(7,8)9)13-17-12-14-10-11-15(16)18-14/h14H,10-13H2,1-9H3
InChIKeyDNFFDQYUPQZOHR-UHFFFAOYSA-N
MW424.79 g/mol
LogP3.74
Rot. Bonds10

About 5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one

5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one (PubChem CID 23502041) has the molecular formula C15H36O6Si4 and a molecular weight of 424.79 g/mol. Its IUPAC name is 5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one.

Molecular Properties

Compound Name5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one
PubChem CID23502041
Molecular FormulaC15H36O6Si4
Molecular Weight424.79 g/mol
Exact Mass424.16
IUPAC Name5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one
SMILESC[Si](C)(C)O[Si](COCC1CCC(=O)O1)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H36O6Si4/c1-22(2,3)19-25(20-23(4,5)6,21-24(7,8)9)13-17-12-14-10-11-15(16)18-14/h14H,10-13H2,1-9H3
InChIKeyDNFFDQYUPQZOHR-UHFFFAOYSA-N
XLogP3.74
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.79
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one?
The IUPAC name of 5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one (CID 23502041) is 5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one.
What is the SMILES notation for 5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one?
The canonical SMILES for 5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one is C[Si](C)(C)O[Si](COCC1CCC(=O)O1)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one?
The InChIKey is DNFFDQYUPQZOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36O6Si4/c1-22(2,3)19-25(20-23(4,5)6,21-24(7,8)9)13-17-12-14-10-11-15(16)18-14/h14H,10-13H2,1-9H3.
What are the key properties of 5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one?
5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one has a molecular weight of 424.79 g/mol, XLogP of 3.74, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tris(trimethylsilyloxy)silylmethoxymethyl]oxolan-2-one is sourced from PubChem (CID 23502041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).