(1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium

C7H14O5P+ — CID 88801560

IUPAC(1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium
SMILESCCCC(O[P+](=O)O)C(=O)OCC
InChIInChI=1S/C7H13O5P/c1-3-5-6(12-13(9)10)7(8)11-4-2/h6H,3-5H2,1-2H3/p+1
InChIKeyAMNWJYQBVUFBIF-UHFFFAOYSA-O
MW209.16 g/mol
LogP1.38
Rot. Bonds6

About (1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium

(1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium (PubChem CID 88801560) has the molecular formula C7H14O5P+ and a molecular weight of 209.16 g/mol. Its IUPAC name is (1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium
PubChem CID88801560
Molecular FormulaC7H14O5P+
Molecular Weight209.16 g/mol
Exact Mass209.06
IUPAC Name(1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium
SMILESCCCC(O[P+](=O)O)C(=O)OCC
InChIInChI=1S/C7H13O5P/c1-3-5-6(12-13(9)10)7(8)11-4-2/h6H,3-5H2,1-2H3/p+1
InChIKeyAMNWJYQBVUFBIF-UHFFFAOYSA-O
XLogP1.38
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2-methylpropanoyloxy)pentanoate
CID 137351273
1-aminoethoxy-hydroxy-oxophosphanium;butane
CID 87487815
ethyl 2-(2-amino-2-ethylbutoxy)pentanoate
CID 106940048
ethyl 2-(4-methylpentoxy)pentanoate
CID 83037799
ethyl 2-(oxetan-3-yloxy)pentanoate
CID 102605335
ethyl 2-[2-(propylamino)ethoxy]pentanoate
CID 106939578
diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl 2-(2-amino-5-methylphenoxy)pentanoate
CID 83034439
ethene;ethyl 2-propylpentanoate
CID 160741230
ethyl 2-methoxybutanoate
CID 59767959
1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane
CID 87721898
ethyl 3-(2-oxohexan-3-yloxy)prop-2-enoate
CID 173426012

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium?
The IUPAC name of (1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium (CID 88801560) is (1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium.
What is the SMILES notation for (1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium?
The canonical SMILES for (1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium is CCCC(O[P+](=O)O)C(=O)OCC.
What is the InChIKey of (1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium?
The InChIKey is AMNWJYQBVUFBIF-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13O5P/c1-3-5-6(12-13(9)10)7(8)11-4-2/h6H,3-5H2,1-2H3/p+1.
What are the key properties of (1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium?
(1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium has a molecular weight of 209.16 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 88801560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).