Cas no 50655-63-5 (Phosphonic acid, (2-methylpropyl)-, diethyl ester)
50655-63-5 structure
Product Name:Phosphonic acid, (2-methylpropyl)-, diethyl ester
CAS No:50655-63-5
MF:C8H19O3P
MW:194.208423852921
CID:364381
PubChem ID:638729
Update Time:2025-04-19
Phosphonic acid, (2-methylpropyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (2-methylpropyl)-, diethyl ester
- Diethyl isobutylphosphonate
- DTXSID20348592
- Diethyl-2-butylphosphonate
- SCHEMBL9633264
- FT-0724462
- KWVBQQBRIUYFSW-UHFFFAOYSA-N
- 1-diethoxyphosphoryl-2-methylpropane
- AKOS015903835
- 2methylpropyl-phosphonic acid diethylester
- 50655-63-5
- InChI=1/C8H19O3P/c1-5-10-12(9,11-6-2)7-8(3)4/h8H,5-7H2,1-4H
- isobutanephosphonic acid diethyl ester
-
- Inchi： 1S/C8H19O3P/c1-5-10-12(9,11-6-2)7-8(3)4/h8H,5-7H2,1-4H3
- InChI Key： KWVBQQBRIUYFSW-UHFFFAOYSA-N
- SMILES： P(CC(C)C)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 194.10727
- Monoisotopic Mass: 194.10718146g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 146
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Phosphonic acid, (2-methylpropyl)-, diethyl ester Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
50655-63-5 (Phosphonic acid, (2-methylpropyl)-, diethyl ester) Related Products
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