2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one

C10H19O4PSe — CID 23419545

IUPAC2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one
SMILESCCC(=O)C(C)[Se]P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C10H19O4PSe/c1-5-9(11)8(2)16-15(12)13-6-10(3,4)7-14-15/h8H,5-7H2,1-4H3
InChIKeyYRXBGMGNGAGRHF-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.66
Rot. Bonds4

About 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one

2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one (PubChem CID 23419545) has the molecular formula C10H19O4PSe and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one.

Molecular Properties

Compound Name2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one
PubChem CID23419545
Molecular FormulaC10H19O4PSe
Molecular Weight313.19 g/mol
Exact Mass314.02
IUPAC Name2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one
SMILESCCC(=O)C(C)[Se]P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C10H19O4PSe/c1-5-9(11)8(2)16-15(12)13-6-10(3,4)7-14-15/h8H,5-7H2,1-4H3
InChIKeyYRXBGMGNGAGRHF-UHFFFAOYSA-N
XLogP2.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
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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Related Compounds

CID 11231896
CID 11231896
CID 23419546
CID 23419546
CID 23002053
CID 23002053
CID 121429395
CID 121429395
CID 121429404
CID 121429404
CID 121429470
CID 121429470
CID 121443913
CID 121443913
CID 123882362
CID 123882362
CID 130456025
CID 130456025
CID 130456026
CID 130456026
CID 15580126
CID 15580126
CID 101623219
CID 101623219

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one?
The IUPAC name of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one (CID 23419545) is 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one.
What is the SMILES notation for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one?
The canonical SMILES for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one is CCC(=O)C(C)[Se]P1(=O)OCC(C)(C)CO1.
What is the InChIKey of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one?
The InChIKey is YRXBGMGNGAGRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4PSe/c1-5-9(11)8(2)16-15(12)13-6-10(3,4)7-14-15/h8H,5-7H2,1-4H3.
What are the key properties of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one?
2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one has a molecular weight of 313.19 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)selanyl]pentan-3-one is sourced from PubChem (CID 23419545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).