(1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium

C8H15ClO4P+ — CID 23338801

IUPAC(1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium
SMILESCCOC[P+](=O)C(Cl)C(=O)OC(C)C
InChIInChI=1S/C8H15ClO4P/c1-4-12-5-14(11)7(9)8(10)13-6(2)3/h6-7H,4-5H2,1-3H3/q+1
InChIKeyVVJMZFHARGZDAR-UHFFFAOYSA-N
MW241.63 g/mol
LogP2.32
Rot. Bonds6

About (1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium

(1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium (PubChem CID 23338801) has the molecular formula C8H15ClO4P+ and a molecular weight of 241.63 g/mol. Its IUPAC name is (1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium.

Molecular Properties

Compound Name(1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium
PubChem CID23338801
Molecular FormulaC8H15ClO4P+
Molecular Weight241.63 g/mol
Exact Mass241.04
IUPAC Name(1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium
SMILESCCOC[P+](=O)C(Cl)C(=O)OC(C)C
InChIInChI=1S/C8H15ClO4P/c1-4-12-5-14(11)7(9)8(10)13-6(2)3/h6-7H,4-5H2,1-3H3/q+1
InChIKeyVVJMZFHARGZDAR-UHFFFAOYSA-N
XLogP2.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-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

bis[1-[ethoxymethyl(oxo)phosphaniumyl]ethoxy]-oxophosphanium
CID 57277837
propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate
CID 139783105
propan-2-yl 2-chloro-2-hydroxyacetate
CID 174315880
(2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium
CID 90416817
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
propan-2-yl 2-[methyl(propanoyl)amino]propanoate
CID 134504961
propan-2-yl (3R)-2-hydroxy-3-methylpentanoate
CID 174795059
propan-2-yl 2-chloro-2-di(butan-2-yloxy)phosphorylacetate
CID 88798644
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl 2-aminopropanoate
CID 11804791
alumane;propan-2-yl 3-oxo-2-propan-2-yloxybutanoate
CID 174502604

Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium?
The IUPAC name of (1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium (CID 23338801) is (1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium.
What is the SMILES notation for (1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium?
The canonical SMILES for (1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium is CCOC[P+](=O)C(Cl)C(=O)OC(C)C.
What is the InChIKey of (1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium?
The InChIKey is VVJMZFHARGZDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO4P/c1-4-12-5-14(11)7(9)8(10)13-6(2)3/h6-7H,4-5H2,1-3H3/q+1.
What are the key properties of (1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium?
(1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium has a molecular weight of 241.63 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium is sourced from PubChem (CID 23338801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).