Cas no 82361-79-3 (1-Dodecanone,1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-)
82361-79-3 structure
Product Name:1-Dodecanone,1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-
CAS No:82361-79-3
MF:C26H42O6
MW:450.608088970184
CID:708389
Update Time:2024-02-04
1-Dodecanone,1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)- Chemical and Physical Properties
Names and Identifiers
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- 1-Dodecanone,1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-
- 4-LAUROYLBENZO-15-CROWN-5
- 1-Dodecanone, 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-
-
- Inchi： 1S/C26H42O6/c1-2-3-4-5-6-7-8-9-10-11-24(27)23-12-13-25-26(22-23)32-21-19-30-17-15-28-14-16-29-18-20-31-25/h12-13,22H,2-11,14-21H2,1H3
- InChI Key： ILCXESVUIUTCQT-UHFFFAOYSA-N
- SMILES： C(C1=CC=C2OCCOCCOCCOCCOC2=C1)(=O)CCCCCCCCCCC
Computed Properties
- Exact Mass: 451.30600
- Monoisotopic Mass: 450.298
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 32
- Rotatable Bond Count: 11
- Complexity: 458
- 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: 5.3
- Topological Polar Surface Area: 63.2A^2
Experimental Properties
- Density: 1.006±0.06 g/cm3(Predicted)
- Melting Point: 60-63 °C
- Boiling Point: 584.2±50.0 °C(Predicted)
- PSA: 63.22000
- LogP: 5.49080
1-Dodecanone,1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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