4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane

C6H11O3PSe — CID 535417

IUPAC4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane
SMILESCCC12COP(=[Se])(OC1)OC2
InChIInChI=1S/C6H11O3PSe/c1-2-6-3-7-10(11,8-4-6)9-5-6/h2-5H2,1H3
InChIKeyQKIAQBWIQOTHLN-UHFFFAOYSA-N
MW241.08 g/mol
LogP1.31
Rot. Bonds1

About 4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane

4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane (PubChem CID 535417) has the molecular formula C6H11O3PSe and a molecular weight of 241.08 g/mol. Its IUPAC name is 4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane.

Molecular Properties

Compound Name4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane
PubChem CID535417
Molecular FormulaC6H11O3PSe
Molecular Weight241.08 g/mol
Exact Mass241.96
IUPAC Name4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane
SMILESCCC12COP(=[Se])(OC1)OC2
InChIInChI=1S/C6H11O3PSe/c1-2-6-3-7-10(11,8-4-6)9-5-6/h2-5H2,1H3
InChIKeyQKIAQBWIQOTHLN-UHFFFAOYSA-N
XLogP1.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane?
The IUPAC name of 4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane (CID 535417) is 4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane.
What is the SMILES notation for 4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane?
The canonical SMILES for 4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane is CCC12COP(=[Se])(OC1)OC2.
What is the InChIKey of 4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane?
The InChIKey is QKIAQBWIQOTHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O3PSe/c1-2-6-3-7-10(11,8-4-6)9-5-6/h2-5H2,1H3.
What are the key properties of 4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane?
4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane has a molecular weight of 241.08 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-selanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane is sourced from PubChem (CID 535417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).