5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one

C11H21O4P — CID 130456025

IUPAC5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one
SMILESCCC(=O)CC(C)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C11H21O4P/c1-5-10(12)6-9(2)16(13)14-7-11(3,4)8-15-16/h9H,5-8H2,1-4H3
InChIKeyFVGGRYAYLRZLHN-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.01
Rot. Bonds4

About 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one

5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one (PubChem CID 130456025) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one.

Molecular Properties

Compound Name5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one
PubChem CID130456025
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one
SMILESCCC(=O)CC(C)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C11H21O4P/c1-5-10(12)6-9(2)16(13)14-7-11(3,4)8-15-16/h9H,5-8H2,1-4H3
InChIKeyFVGGRYAYLRZLHN-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one?
The IUPAC name of 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one (CID 130456025) is 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one.
What is the SMILES notation for 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one?
The canonical SMILES for 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one is CCC(=O)CC(C)P1(=O)OCC(C)(C)CO1.
What is the InChIKey of 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one?
The InChIKey is FVGGRYAYLRZLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O4P/c1-5-10(12)6-9(2)16(13)14-7-11(3,4)8-15-16/h9H,5-8H2,1-4H3.
What are the key properties of 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one?
5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one has a molecular weight of 248.26 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)hexan-3-one is sourced from PubChem (CID 130456025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).