(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate

C6H11O5P — CID 58529073

IUPAC(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate
SMILESCC(=O)OC1CCOP(C)(=O)O1
InChIInChI=1S/C6H11O5P/c1-5(7)10-6-3-4-9-12(2,8)11-6/h6H,3-4H2,1-2H3
InChIKeyLZQJSAZMXUTZIL-UHFFFAOYSA-N
MW194.12 g/mol
LogP1.14
Rot. Bonds1

About (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate

(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate (PubChem CID 58529073) has the molecular formula C6H11O5P and a molecular weight of 194.12 g/mol. Its IUPAC name is (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate.

Molecular Properties

Compound Name(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate
PubChem CID58529073
Molecular FormulaC6H11O5P
Molecular Weight194.12 g/mol
Exact Mass194.03
IUPAC Name(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate
SMILESCC(=O)OC1CCOP(C)(=O)O1
InChIInChI=1S/C6H11O5P/c1-5(7)10-6-3-4-9-12(2,8)11-6/h6H,3-4H2,1-2H3
InChIKeyLZQJSAZMXUTZIL-UHFFFAOYSA-N
XLogP1.14
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S,3S,4S,5S,6S)-3,4,5,6-tetraacetyloxy-1-methyl-1-oxo-1lambda5-phosphinan-2-yl]methyl acetate
CID 14410141
[(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate
CID 101465019
(5-bromooxan-2-yl) acetate
CID 91987610
(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate
CID 66648582
cyclopropane;oxan-4-yl acetate
CID 69401848
[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 70178929
[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 34174531
[(2S,5S)-2,3,5,6-tetraacetyloxyoxan-4-yl] acetate
CID 134940268
[(2S,6R)-2-oxooxathian-6-yl] acetate
CID 134986503
[(3S,4S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70841955
[(3R,4S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 71196175
[(5S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 126692010

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate?
The IUPAC name of (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate (CID 58529073) is (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate.
What is the SMILES notation for (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate?
The canonical SMILES for (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate is CC(=O)OC1CCOP(C)(=O)O1.
What is the InChIKey of (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate?
The InChIKey is LZQJSAZMXUTZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O5P/c1-5(7)10-6-3-4-9-12(2,8)11-6/h6H,3-4H2,1-2H3.
What are the key properties of (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate?
(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate has a molecular weight of 194.12 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate is sourced from PubChem (CID 58529073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).