2-diethoxyphosphorylselanylpentan-3-one

C9H19O4PSe — CID 11231896

IUPAC2-diethoxyphosphorylselanylpentan-3-one
SMILESCCOP(=O)(OCC)[Se]C(C)C(=O)CC
InChIInChI=1S/C9H19O4PSe/c1-5-9(10)8(4)15-14(11,12-6-2)13-7-3/h8H,5-7H2,1-4H3
InChIKeyXOSCZRLSXWDZCE-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.66
Rot. Bonds8

About 2-diethoxyphosphorylselanylpentan-3-one

2-diethoxyphosphorylselanylpentan-3-one (PubChem CID 11231896) has the molecular formula C9H19O4PSe and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-diethoxyphosphorylselanylpentan-3-one.

Molecular Properties

Compound Name2-diethoxyphosphorylselanylpentan-3-one
PubChem CID11231896
Molecular FormulaC9H19O4PSe
Molecular Weight301.18 g/mol
Exact Mass302.02
IUPAC Name2-diethoxyphosphorylselanylpentan-3-one
SMILESCCOP(=O)(OCC)[Se]C(C)C(=O)CC
InChIInChI=1S/C9H19O4PSe/c1-5-9(10)8(4)15-14(11,12-6-2)13-7-3/h8H,5-7H2,1-4H3
InChIKeyXOSCZRLSXWDZCE-UHFFFAOYSA-N
XLogP2.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-diethoxyphosphorylselanylpentan-3-one?
The IUPAC name of 2-diethoxyphosphorylselanylpentan-3-one (CID 11231896) is 2-diethoxyphosphorylselanylpentan-3-one.
What is the SMILES notation for 2-diethoxyphosphorylselanylpentan-3-one?
The canonical SMILES for 2-diethoxyphosphorylselanylpentan-3-one is CCOP(=O)(OCC)[Se]C(C)C(=O)CC.
What is the InChIKey of 2-diethoxyphosphorylselanylpentan-3-one?
The InChIKey is XOSCZRLSXWDZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4PSe/c1-5-9(10)8(4)15-14(11,12-6-2)13-7-3/h8H,5-7H2,1-4H3.
What are the key properties of 2-diethoxyphosphorylselanylpentan-3-one?
2-diethoxyphosphorylselanylpentan-3-one has a molecular weight of 301.18 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylselanylpentan-3-one is sourced from PubChem (CID 11231896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).