2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one

C11H21O4P — CID 121443912

IUPAC2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C11H21O4P/c1-8(2)10(12)9(3)16(13)14-6-11(4,5)7-15-16/h8-9H,6-7H2,1-5H3
InChIKeyOCMANBCTBLSRSF-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.87
Rot. Bonds3

About 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one

2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one (PubChem CID 121443912) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one.

Molecular Properties

Compound Name2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one
PubChem CID121443912
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C11H21O4P/c1-8(2)10(12)9(3)16(13)14-6-11(4,5)7-15-16/h8-9H,6-7H2,1-5H3
InChIKeyOCMANBCTBLSRSF-UHFFFAOYSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.87
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 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one?
The IUPAC name of 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one (CID 121443912) is 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one.
What is the SMILES notation for 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one?
The canonical SMILES for 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one is CC(C)C(=O)C(C)P1(=O)OCC(C)(C)CO1.
What is the InChIKey of 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one?
The InChIKey is OCMANBCTBLSRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O4P/c1-8(2)10(12)9(3)16(13)14-6-11(4,5)7-15-16/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one?
2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-4-methylpentan-3-one has a molecular weight of 248.26 g/mol, XLogP of 2.87, 3 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)-4-methylpentan-3-one is sourced from PubChem (CID 121443912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).