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

C9H17O4P — CID 23002067

IUPAC1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H17O4P/c1-7(2)8(10)14(11)12-5-9(3,4)6-13-14/h7H,5-6H2,1-4H3
InChIKeySUWYFMOAVRITNI-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.44
Rot. Bonds2

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

1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one (PubChem CID 23002067) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one
PubChem CID23002067
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H17O4P/c1-7(2)8(10)14(11)12-5-9(3,4)6-13-14/h7H,5-6H2,1-4H3
InChIKeySUWYFMOAVRITNI-UHFFFAOYSA-N
XLogP2.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.44
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 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one (CID 23002067) is 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one is CC(C)C(=O)P1(=O)OCC(C)(C)CO1.
What is the InChIKey of 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one?
The InChIKey is SUWYFMOAVRITNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-7(2)8(10)14(11)12-5-9(3,4)6-13-14/h7H,5-6H2,1-4H3.
What are the key properties of 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one?
1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one has a molecular weight of 220.20 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 23002067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).