Se-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate

C16H14OSe3 — CID 134881588

IUPACSe-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate
SMILESCC(=O)[Se]C=C([Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C16H14OSe3/c1-13(17)18-12-16(19-14-8-4-2-5-9-14)20-15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyJRMQHUQLCAJLRY-UHFFFAOYSA-N
MW459.17 g/mol
LogP1.10
Rot. Bonds6

About Se-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate

Se-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate (PubChem CID 134881588) has the molecular formula C16H14OSe3 and a molecular weight of 459.17 g/mol. Its IUPAC name is Se-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate.

Molecular Properties

Compound NameSe-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate
PubChem CID134881588
Molecular FormulaC16H14OSe3
Molecular Weight459.17 g/mol
Exact Mass461.85
IUPAC NameSe-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate
SMILESCC(=O)[Se]C=C([Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C16H14OSe3/c1-13(17)18-12-16(19-14-8-4-2-5-9-14)20-15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyJRMQHUQLCAJLRY-UHFFFAOYSA-N
XLogP1.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.17
LogP ≤ 51.10
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 Se-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate?
The IUPAC name of Se-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate (CID 134881588) is Se-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate.
What is the SMILES notation for Se-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate?
The canonical SMILES for Se-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate is CC(=O)[Se]C=C([Se]c1ccccc1)[Se]c1ccccc1.
What is the InChIKey of Se-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate?
The InChIKey is JRMQHUQLCAJLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OSe3/c1-13(17)18-12-16(19-14-8-4-2-5-9-14)20-15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of Se-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate?
Se-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate has a molecular weight of 459.17 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-[2,2-bis(phenylselanyl)ethenyl] ethaneselenoate is sourced from PubChem (CID 134881588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).