5-phenylselanyl-2-(phenylselanylmethyl)oxane

C18H20OSe2 — CID 12539575

IUPAC5-phenylselanyl-2-(phenylselanylmethyl)oxane
SMILESc1ccc([Se]CC2CCC([Se]c3ccccc3)CO2)cc1
InChIInChI=1S/C18H20OSe2/c1-3-7-16(8-4-1)20-14-15-11-12-18(13-19-15)21-17-9-5-2-6-10-17/h1-10,15,18H,11-14H2
InChIKeyOQUQWPDTMXYIHL-UHFFFAOYSA-N
MW410.28 g/mol
LogP2.43
Rot. Bonds5

About 5-phenylselanyl-2-(phenylselanylmethyl)oxane

5-phenylselanyl-2-(phenylselanylmethyl)oxane (PubChem CID 12539575) has the molecular formula C18H20OSe2 and a molecular weight of 410.28 g/mol. Its IUPAC name is 5-phenylselanyl-2-(phenylselanylmethyl)oxane.

Molecular Properties

Compound Name5-phenylselanyl-2-(phenylselanylmethyl)oxane
PubChem CID12539575
Molecular FormulaC18H20OSe2
Molecular Weight410.28 g/mol
Exact Mass411.98
IUPAC Name5-phenylselanyl-2-(phenylselanylmethyl)oxane
SMILESc1ccc([Se]CC2CCC([Se]c3ccccc3)CO2)cc1
InChIInChI=1S/C18H20OSe2/c1-3-7-16(8-4-1)20-14-15-11-12-18(13-19-15)21-17-9-5-2-6-10-17/h1-10,15,18H,11-14H2
InChIKeyOQUQWPDTMXYIHL-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 52.43
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 5-phenylselanyl-2-(phenylselanylmethyl)oxane?
The IUPAC name of 5-phenylselanyl-2-(phenylselanylmethyl)oxane (CID 12539575) is 5-phenylselanyl-2-(phenylselanylmethyl)oxane.
What is the SMILES notation for 5-phenylselanyl-2-(phenylselanylmethyl)oxane?
The canonical SMILES for 5-phenylselanyl-2-(phenylselanylmethyl)oxane is c1ccc([Se]CC2CCC([Se]c3ccccc3)CO2)cc1.
What is the InChIKey of 5-phenylselanyl-2-(phenylselanylmethyl)oxane?
The InChIKey is OQUQWPDTMXYIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OSe2/c1-3-7-16(8-4-1)20-14-15-11-12-18(13-19-15)21-17-9-5-2-6-10-17/h1-10,15,18H,11-14H2.
What are the key properties of 5-phenylselanyl-2-(phenylselanylmethyl)oxane?
5-phenylselanyl-2-(phenylselanylmethyl)oxane has a molecular weight of 410.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylselanyl-2-(phenylselanylmethyl)oxane is sourced from PubChem (CID 12539575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).