2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid

C6H14ClO4P — CID 141232807

IUPAC2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid
SMILESCC(C)OP(=O)(O)COCCCl
InChIInChI=1S/C6H14ClO4P/c1-6(2)11-12(8,9)5-10-4-3-7/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyWVHMWTSKZOTMML-UHFFFAOYSA-N
MW216.60 g/mol
LogP1.81
Rot. Bonds6

About 2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid

2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid (PubChem CID 141232807) has the molecular formula C6H14ClO4P and a molecular weight of 216.60 g/mol. Its IUPAC name is 2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Name2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid
PubChem CID141232807
Molecular FormulaC6H14ClO4P
Molecular Weight216.60 g/mol
Exact Mass216.03
IUPAC Name2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid
SMILESCC(C)OP(=O)(O)COCCCl
InChIInChI=1S/C6H14ClO4P/c1-6(2)11-12(8,9)5-10-4-3-7/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyWVHMWTSKZOTMML-UHFFFAOYSA-N
XLogP1.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.60
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid
CID 123217375
4-chlorobutan-2-yl dihydrogen phosphate
CID 150088716
1-chloro-2-ethoxyethane;phosphono dihydrogen phosphate
CID 175312423
2-chloro-1-(2-chloroethoxy)propane
CID 3392808
2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate
CID 166607850
2-(2,4-diamino-7H-pteridin-8-yl)ethoxymethyl-propan-2-yloxyphosphinic acid
CID 134978088
hydroperoxy-[2-(2-methylbutanoyloxy)ethoxymethyl]phosphinic acid
CID 91109669
2-chloroethylperoxy(ethyl)phosphinic acid
CID 174902353
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate
CID 168833294
[7,11-dimethyldodeca-6,10-dienoxymethyl(propan-2-yloxy)phosphoryl]methylphosphonic acid
CID 54138303
(4-methoxy-3-methylbutyl) propan-2-yl hydrogen phosphate
CID 129147562

Frequently Asked Questions

What is the IUPAC name of 2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid?
The IUPAC name of 2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid (CID 141232807) is 2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid.
What is the SMILES notation for 2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid?
The canonical SMILES for 2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid is CC(C)OP(=O)(O)COCCCl.
What is the InChIKey of 2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid?
The InChIKey is WVHMWTSKZOTMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClO4P/c1-6(2)11-12(8,9)5-10-4-3-7/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid?
2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid has a molecular weight of 216.60 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid is sourced from PubChem (CID 141232807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).