Isobutyl (2-hydroxyethyl)methylphosphinate
Basic information
- CAS
53314-61-7- Standard SMILES
CC(C)COP(C)(=O)CCO- InChIKey
UDQBLBPJVKUWET-UHFFFAOYSA-N- Molecular formula
- C7H17O3P
- Average molar mass
- 180.18 g/mol
- Monoisotopic mass
- 180.0915314
Names & identifiers
- Preferred name
- Isobutyl (2-hydroxyethyl)methylphosphinate
- IUPAC
- 2-[methyl(2-methylpropoxy)phosphoryl]ethanol
- English name
- isobutyl (2-hydroxyethyl)methylphosphinate
- Molecular formula
- C7H17O3P
- Molecular weight
- 180.18
Names & synonyms
53314-61-7Isobutyl (2-hydroxyethyl)methylphosphinateEINECS 258-472-02-methylpropyl (2-hydroxyethyl)(methyl)phosphinateSCHEMBL11593856DTXSID40967921UDQBLBPJVKUWET-UHFFFAOYSA-NNS000599182-Methylpropyl (2-hydroxyethyl)methylphosphinate2-Hydroxyethyl(methyl)phosphinic acid 2-methylpropyl esterPhosphinic acid, (2-hydroxyethyl)methyl-, 2-methylpropyl ester (9CI)
Database identifiers
- CAS
53314-61-7- PubChem CID
- 104465
- DTXSID
DTXSID40967921- EC Number
- 258-472-0
- Nikkaji
- J295.927E
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 250.9 · 250.9±42.0 °C(Predicted)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- pka
- 14.36 · 14.36±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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