1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one

C8H15O4P — CID 141060465

IUPAC1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one
SMILESCCCCC(=O)P1(=O)OCCCO1
InChIInChI=1S/C8H15O4P/c1-2-3-5-8(9)13(10)11-6-4-7-12-13/h2-7H2,1H3
InChIKeyXEDCABPXUNUTDK-UHFFFAOYSA-N
MW206.18 g/mol
LogP2.33
Rot. Bonds4

About 1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one

1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one (PubChem CID 141060465) has the molecular formula C8H15O4P and a molecular weight of 206.18 g/mol. Its IUPAC name is 1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one
PubChem CID141060465
Molecular FormulaC8H15O4P
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one
SMILESCCCCC(=O)P1(=O)OCCCO1
InChIInChI=1S/C8H15O4P/c1-2-3-5-8(9)13(10)11-6-4-7-12-13/h2-7H2,1H3
InChIKeyXEDCABPXUNUTDK-UHFFFAOYSA-N
XLogP2.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 175558999
oxetane;pentan-2-one
CID 159710624
1-(1,3-dioxan-2-yl)heptan-1-one
CID 10679536
hexan-2-one;molecular nitrogen
CID 174442577
pentanoyl chloride;hydrofluoride
CID 174423538
hexanoic acid;oxirane
CID 159231946
1-(oxan-3-yl)pentan-1-one
CID 65332332
1-(oxasilinan-2-yl)pentan-1-one
CID 173082144
dioxane;undecanoic acid
CID 174785577
dioxane;tridecanoic acid
CID 174785517
1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one
CID 23002154
2-butan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 14872336

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one?
The IUPAC name of 1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one (CID 141060465) is 1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one.
What is the SMILES notation for 1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one?
The canonical SMILES for 1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one is CCCCC(=O)P1(=O)OCCCO1.
What is the InChIKey of 1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one?
The InChIKey is XEDCABPXUNUTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O4P/c1-2-3-5-8(9)13(10)11-6-4-7-12-13/h2-7H2,1H3.
What are the key properties of 1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one?
1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one has a molecular weight of 206.18 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one is sourced from PubChem (CID 141060465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).