Cas no 33803-58-6 (2-Heptanone, 1-(triphenylphosphoranylidene)-)
33803-58-6 structure
Product Name:2-Heptanone, 1-(triphenylphosphoranylidene)-
CAS No:33803-58-6
MF:C25H27OP
MW:374.45504784584
CID:1460152
PubChem ID:10761944
Update Time:2025-04-20
2-Heptanone, 1-(triphenylphosphoranylidene)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanone, 1-(triphenylphosphoranylidene)-
- 1-(triphenyl-λ<sup>5</sup>-phosphanylidene)heptan-2-one
- hexanoylmethylene triphenylphosphorane
- SCHEMBL11084479
- 2-oxoheptylidenetriphenylphosphorane
- DTXSID70444558
- hexanoylmethylenetriphenylphosphorane
- 33803-58-6
- DERLEQYHZCMIPL-UHFFFAOYSA-N
-
- Inchi： 1S/C25H27OP/c1-2-3-7-14-22(26)21-27(23-15-8-4-9-16-23,24-17-10-5-11-18-24)25-19-12-6-13-20-25/h4-6,8-13,15-21H,2-3,7,14H2,1H3
- InChI Key： DERLEQYHZCMIPL-UHFFFAOYSA-N
- SMILES： P(=CC(CCCCC)=O)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 374.18011
- Monoisotopic Mass: 374.179952478g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 438
- 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: 5.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
- LogP: 4.93210
2-Heptanone, 1-(triphenylphosphoranylidene)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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