Cas no 117917-78-9 (Pentanoic acid,5-(diethoxyphosphinyl)-, methyl ester)
117917-78-9 structure
Product Name:Pentanoic acid,5-(diethoxyphosphinyl)-, methyl ester
CAS No:117917-78-9
MF:C8H17O5P
MW:224.191344022751
CID:131685
PubChem ID:2773775
Update Time:2025-04-19
Pentanoic acid,5-(diethoxyphosphinyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,5-(diethoxyphosphinyl)-, methyl ester
- DiMethyl[4-(Methoxycarbonyl)butyl]phosphonate
- methyl 5-dimethoxyphosphorylpentanoate
- AC1MCNFW
- ACMC-20mnht
- AG-D-40095
- CTK4B0492
- Methyl 5-(dimethoxyphosphoryl)pentanoate
- OR10766
- TRIMETHYL PHOSPHONOPENTANOATE
- Methyl 5-(diethylphosphono)pentanoate
- Methyl 5-(diethoxyphosphoryl)pentanoate
- Methyl 5-(diethylphosphono)pentanoate, 98 %
- SCHEMBL11350161
- Dimethyl [4-(methoxycarbonyl)but-1-yl]phosphonate
- AKOS027382473
- 117917-78-9
- DTXSID10378702
- 195871-91-1
-
- Inchi： 1S/C8H17O5P/c1-11-8(9)6-4-5-7-14(10,12-2)13-3/h4-7H2,1-3H3
- InChI Key： MLNVYQMAHFQICS-UHFFFAOYSA-N
- SMILES： P(CCCCC(=O)OC)(=O)(OC)OC
Computed Properties
- Exact Mass: 252.11300
- Monoisotopic Mass: 224.08136064g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 208
- 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: 0
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 71.64000
- LogP: 2.59580
Pentanoic acid,5-(diethoxyphosphinyl)-, methyl ester Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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