Cas no 13086-87-8 (Phosphonic acid,bis(2,6-dimethylheptyl) ester (6CI,9CI))
13086-87-8 structure
Product Name:Phosphonic acid,bis(2,6-dimethylheptyl) ester (6CI,9CI)
CAS No:13086-87-8
MF:C18H38O3P
MW:333.466287136078
CID:229751
PubChem ID:6330407
Update Time:2025-04-19
Phosphonic acid,bis(2,6-dimethylheptyl) ester (6CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid,bis(2,6-dimethylheptyl) ester (6CI,9CI)
- bis(2,6-dimethylheptoxy)-oxophosphanium
- 1-Heptanol, 2,6-dimethyl-, phosphonate(7CI)
- 1-Heptanol,2,6-dimethyl-, phosphonate (2:1) (8CI)
- AC1O3JSR
- AG-D-62666
- BIS(2,6-DIMETHYLHEPTOXY)-OXO-PHOSPHANIUM
- CTK4B6958
- NSC202810
- NSC-202810
- 13086-87-8
- SCHEMBL9326349
- DTXSID20422649
-
- Inchi： 1S/C18H38O3P/c1-15(2)9-7-11-17(5)13-20-22(19)21-14-18(6)12-8-10-16(3)4/h15-18H,7-14H2,1-6H3/q+1
- InChI Key： BQHWPHWLYAOJFM-UHFFFAOYSA-N
- SMILES： [P+](=O)(OCC(C)CCCC(C)C)OCC(C)CCCC(C)C
Computed Properties
- Exact Mass: 333.25604
- Monoisotopic Mass: 333.25585707g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 14
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.1
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
- LogP: 6.33410
Phosphonic acid,bis(2,6-dimethylheptyl) ester (6CI,9CI) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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