Cas no 21458-48-0 (tetraethyl pentane-1,5-diylbis(phosphonate))
21458-48-0 structure
Product Name:tetraethyl pentane-1,5-diylbis(phosphonate)
CAS No:21458-48-0
MF:C13H30O6P2
MW:344.321226596832
CID:1401416
PubChem ID:606411
Update Time:2025-04-20
tetraethyl pentane-1,5-diylbis(phosphonate) Chemical and Physical Properties
Names and Identifiers
-
- tetraethyl pentane-1,5-diylbis(phosphonate)
- Phosphonic acid, 1,5-pentanediylbis-, tetraethyl ester
- phosphonic acid, P,P'-1,5-pentanediylbis-, tetraethyl ester
- Phosphonic acid, pentamethylenedi-, tetraethyl ester
- pentanediyl-bis-phosphonic acid tetraethyl ester
- Tetraethyl pentane-1,5-diphosphonate
- SCHEMBL11514496
- PXENFFWRESSVJC-UHFFFAOYSA-N
- 1,5-Pentanediylbisphosphonic acid tetraethyl ester
- 21458-48-0
-
- Inchi： 1S/C13H30O6P2/c1-5-16-20(14,17-6-2)12-10-9-11-13-21(15,18-7-3)19-8-4/h5-13H2,1-4H3
- InChI Key： PXENFFWRESSVJC-UHFFFAOYSA-N
- SMILES： P(CCCCCP(=O)(OCC)OCC)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 344.1519
- Monoisotopic Mass: 344.15176267g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 14
- Complexity: 296
- 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: 1.3
- Topological Polar Surface Area: 71.1?2
Experimental Properties
- PSA: 71.06
tetraethyl pentane-1,5-diylbis(phosphonate) Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
21458-48-0 (tetraethyl pentane-1,5-diylbis(phosphonate)) Related Products
- 5191-09-3(Diethyl 1-tetradecanephosphonate)
- 22401-25-8(Phosphonic acid,P,P'-(1,3-propanediyl)bis-, P,P,P',P'-tetraethyl ester)
- 2404-75-3(Diethyl butylphosphonate)
- 78-46-6(Dibutyl Butylphosphonate)
- 1068-07-1(Diethyl 1-octylphosphonate)
- 4628-12-0(Phosphonic acid, propyl-, dibutyl ester)
- 4844-38-6(Phosphonic acid,P-dodecyl-, diethyl ester)
- 18812-51-6(Diethyl propylphosphonate)
- 16165-68-7(Diethyl 1-decylphosphonate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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