2,2-diethyloxasilolane

C7H16OSi — CID 139716873

IUPAC2,2-diethyloxasilolane
SMILESCC[Si]1(CC)CCCO1
InChIInChI=1S/C7H16OSi/c1-3-9(4-2)7-5-6-8-9/h3-7H2,1-2H3
InChIKeyOMOOFLIYGMUQCC-UHFFFAOYSA-N
MW144.29 g/mol
LogP2.39
Rot. Bonds2

About 2,2-diethyloxasilolane

2,2-diethyloxasilolane (PubChem CID 139716873) has the molecular formula C7H16OSi and a molecular weight of 144.29 g/mol. Its IUPAC name is 2,2-diethyloxasilolane.

Molecular Properties

Compound Name2,2-diethyloxasilolane
PubChem CID139716873
Molecular FormulaC7H16OSi
Molecular Weight144.29 g/mol
Exact Mass144.10
IUPAC Name2,2-diethyloxasilolane
SMILESCC[Si]1(CC)CCCO1
InChIInChI=1S/C7H16OSi/c1-3-9(4-2)7-5-6-8-9/h3-7H2,1-2H3
InChIKeyOMOOFLIYGMUQCC-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2-diethyloxasilolane?
The IUPAC name of 2,2-diethyloxasilolane (CID 139716873) is 2,2-diethyloxasilolane.
What is the SMILES notation for 2,2-diethyloxasilolane?
The canonical SMILES for 2,2-diethyloxasilolane is CC[Si]1(CC)CCCO1.
What is the InChIKey of 2,2-diethyloxasilolane?
The InChIKey is OMOOFLIYGMUQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OSi/c1-3-9(4-2)7-5-6-8-9/h3-7H2,1-2H3.
What are the key properties of 2,2-diethyloxasilolane?
2,2-diethyloxasilolane has a molecular weight of 144.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyloxasilolane is sourced from PubChem (CID 139716873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).