Cas no 89846-44-6 (Phosphonium, [2-(dodecyloxy)-2-oxoethyl]triphenyl-, chloride)
89846-44-6 structure
Product Name:Phosphonium, [2-(dodecyloxy)-2-oxoethyl]triphenyl-, chloride
CAS No:89846-44-6
MF:C32H42ClO2P
MW:525.101449489594
CID:587178
PubChem ID:71326508
Update Time:2025-04-19
Phosphonium, [2-(dodecyloxy)-2-oxoethyl]triphenyl-, chloride Chemical and Physical Properties
Names and Identifiers
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- Phosphonium, [2-(dodecyloxy)-2-oxoethyl]triphenyl-, chloride
- (2-dodecoxy-2-oxoethyl)-triphenylphosphanium,chloride
- DTXSID80755687
- 89846-44-6
- [2-(Dodecyloxy)-2-oxoethyl](triphenyl)phosphanium chloride
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- Inchi: 1S/C32H42O2P.ClH/c1-2-3-4-5-6-7-8-9-10-20-27-34-32(33)28-35(29-21-14-11-15-22-29,30-23-16-12-17-24-30)31-25-18-13-19-26-31;/h11-19,21-26H,2-10,20,27-28H2,1H3;1H/q+1;/p-1
- InChI Key: AYQWTIFAUNOZBM-UHFFFAOYSA-M
- SMILES: [Cl-].[P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CC(=O)OCCCCCCCCCCCC
Computed Properties
- Exact Mass: 524.2610953g/mol
- Monoisotopic Mass: 524.2610953g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 36
- Rotatable Bond Count: 17
- Complexity: 498
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 39.89000
- LogP: 4.44860
Phosphonium, [2-(dodecyloxy)-2-oxoethyl]triphenyl-, chloride Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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