Cas no 4762-67-8 (Butanedioicacid, 2-(dibutoxyphosphinyl)-, 1,4-diethyl ester)
4762-67-8 structure
Product Name:Butanedioicacid, 2-(dibutoxyphosphinyl)-, 1,4-diethyl ester
CAS No:4762-67-8
MF:C16H31O7P
MW:366.386906862259
CID:335168
PubChem ID:227546
Update Time:2025-04-19
Butanedioicacid, 2-(dibutoxyphosphinyl)-, 1,4-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioicacid, 2-(dibutoxyphosphinyl)-, 1,4-diethyl ester
- diethyl 2-dibutoxyphosphorylbutanedioate
- 1,2-Bis-aethoxycarbonyl-aethylphosphonsaeure-dibutylester
- AC1L5FKI
- AC1Q6501
- AG-J-80028
- AR-1I4349
- CTK4J0136
- Dibutoxyphosphoryl-bernsteinsaeure-diaethylester
- dibutoxyphosphoryl-succinic acid diethyl ester
- diethyl 2-(dibutoxyphosphoryl)butanedioate
- NSC19161
- NSC-19161
- 4762-67-8
- DTXSID50280951
-
- Inchi： 1S/C16H31O7P/c1-5-9-11-22-24(19,23-12-10-6-2)14(16(18)21-8-4)13-15(17)20-7-3/h14H,5-13H2,1-4H3
- InChI Key： QBEFPXQICQAOSO-UHFFFAOYSA-N
- SMILES： P(C(C(=O)OCC)CC(=O)OCC)(=O)(OCCCC)OCCCC
Computed Properties
- Exact Mass: 366.18083
- Monoisotopic Mass: 366.18074032g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 16
- Complexity: 397
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 88.1?2
Experimental Properties
- PSA: 88.13
- LogP: 3.69780
Butanedioicacid, 2-(dibutoxyphosphinyl)-, 1,4-diethyl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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