diethoxyphosphorylselanylbenzene

C10H15O3PSe — CID 11781329

IUPACdiethoxyphosphorylselanylbenzene
SMILESCCOP(=O)(OCC)[Se]c1ccccc1
InChIInChI=1S/C10H15O3PSe/c1-3-12-14(11,13-4-2)15-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyAOLJKBVMEYRITN-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.20
Rot. Bonds6

About diethoxyphosphorylselanylbenzene

diethoxyphosphorylselanylbenzene (PubChem CID 11781329) has the molecular formula C10H15O3PSe and a molecular weight of 293.16 g/mol. Its IUPAC name is diethoxyphosphorylselanylbenzene.

Molecular Properties

Compound Namediethoxyphosphorylselanylbenzene
PubChem CID11781329
Molecular FormulaC10H15O3PSe
Molecular Weight293.16 g/mol
Exact Mass293.99
IUPAC Namediethoxyphosphorylselanylbenzene
SMILESCCOP(=O)(OCC)[Se]c1ccccc1
InChIInChI=1S/C10H15O3PSe/c1-3-12-14(11,13-4-2)15-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyAOLJKBVMEYRITN-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.20
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 diethoxyphosphorylselanylbenzene?
The IUPAC name of diethoxyphosphorylselanylbenzene (CID 11781329) is diethoxyphosphorylselanylbenzene.
What is the SMILES notation for diethoxyphosphorylselanylbenzene?
The canonical SMILES for diethoxyphosphorylselanylbenzene is CCOP(=O)(OCC)[Se]c1ccccc1.
What is the InChIKey of diethoxyphosphorylselanylbenzene?
The InChIKey is AOLJKBVMEYRITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3PSe/c1-3-12-14(11,13-4-2)15-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of diethoxyphosphorylselanylbenzene?
diethoxyphosphorylselanylbenzene has a molecular weight of 293.16 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylselanylbenzene is sourced from PubChem (CID 11781329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).