Phosphonic acid, decyl-, dibutyl ester
Basic information
- CAS
36378-71-9- Standard SMILES
CCCCCCCCCCP(=O)(OCCCC)OCCCC- InChIKey
MBCXIKUNYKOIOD-UHFFFAOYSA-N- Molecular formula
- C18H39O3P
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.2636821
Names & identifiers
- Preferred name
- Phosphonic acid, decyl-, dibutyl ester
- IUPAC
- 1-dibutoxyphosphoryldecane
- English name
- Decylphosphonic acid dibutyl ester
- Molecular weight
- 0
Names & synonyms
Dibutyl decylphosphonate36378-71-9Phosphonic acid, decyl-, dibutyl esterJ34TDS8MEWNSC-222697DTXSID00189905RefChem:1095171DTXCID20112396Dibutyl decanephosphonateDecylphosphonic acid dibutyl esterDibutyldecylphosphonate1-dibutoxyphosphoryldecane
Show more names
NSC 222697BRN 1794154SCHEMBL7593201WLN: 4OPO&O4&10NSC222697
Database identifiers
- CAS
36378-71-9- PubChem CID
- 99439
- DTXSID
DTXSID00189905- UNII
- J34TDS8MEW
- Nikkaji
- J50.281B
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Density
- 1.041 · 1.0410 (rough estimate)
- refractive index
- 1.482 · 1.4820 (estimate)
- Water Solubility
- 0.2 g/L · <0.2g/L(25 ºC)
- FDA UNII
- 34 TDS8MEW · J34TDS8MEW
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Related reactions
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Compound notes
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