2,5-bis(phenylselanylmethyl)oxolane

C18H20OSe2 — CID 12529961

IUPAC2,5-bis(phenylselanylmethyl)oxolane
SMILESc1ccc([Se]CC2CCC(C[Se]c3ccccc3)O2)cc1
InChIInChI=1S/C18H20OSe2/c1-3-7-17(8-4-1)20-13-15-11-12-16(19-15)14-21-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyGEUFCBKUDXTUIV-UHFFFAOYSA-N
MW410.28 g/mol
LogP2.43
Rot. Bonds6

About 2,5-bis(phenylselanylmethyl)oxolane

2,5-bis(phenylselanylmethyl)oxolane (PubChem CID 12529961) has the molecular formula C18H20OSe2 and a molecular weight of 410.28 g/mol. Its IUPAC name is 2,5-bis(phenylselanylmethyl)oxolane.

Molecular Properties

Compound Name2,5-bis(phenylselanylmethyl)oxolane
PubChem CID12529961
Molecular FormulaC18H20OSe2
Molecular Weight410.28 g/mol
Exact Mass411.98
IUPAC Name2,5-bis(phenylselanylmethyl)oxolane
SMILESc1ccc([Se]CC2CCC(C[Se]c3ccccc3)O2)cc1
InChIInChI=1S/C18H20OSe2/c1-3-7-17(8-4-1)20-13-15-11-12-16(19-15)14-21-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyGEUFCBKUDXTUIV-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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 2,5-bis(phenylselanylmethyl)oxolane?
The IUPAC name of 2,5-bis(phenylselanylmethyl)oxolane (CID 12529961) is 2,5-bis(phenylselanylmethyl)oxolane.
What is the SMILES notation for 2,5-bis(phenylselanylmethyl)oxolane?
The canonical SMILES for 2,5-bis(phenylselanylmethyl)oxolane is c1ccc([Se]CC2CCC(C[Se]c3ccccc3)O2)cc1.
What is the InChIKey of 2,5-bis(phenylselanylmethyl)oxolane?
The InChIKey is GEUFCBKUDXTUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OSe2/c1-3-7-17(8-4-1)20-13-15-11-12-16(19-15)14-21-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2.
What are the key properties of 2,5-bis(phenylselanylmethyl)oxolane?
2,5-bis(phenylselanylmethyl)oxolane has a molecular weight of 410.28 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(phenylselanylmethyl)oxolane is sourced from PubChem (CID 12529961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).