Cas no 24829-11-6 (Oxirane,2,2'-(1,5-pentanediyl)bis-)
24829-11-6 structure
Product Name:Oxirane,2,2'-(1,5-pentanediyl)bis-
Oxirane,2,2'-(1,5-pentanediyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- Oxirane,2,2'-(1,5-pentanediyl)bis-
- 2-[5-(oxiran-2-yl)pentyl]oxirane
- 1,2:8,9-Diepoxynonane
- DTXSID70947736
- BRN 0106044
- NONANE, 1,2:8,9-DIEPOXY-
- SCHEMBL4539533
- 2,2'-(Pentane-1,5-diyl)bis(oxirane)
- Oxirane, 2,2'-(1,5-pentanediyl)bis-
- 1,5-Di(oxiran-2-yl)pentane
- 4-19-00-00138 (Beilstein Handbook Reference)
- 24829-11-6
-
- Inchi： 1S/C9H16O2/c1(2-4-8-6-10-8)3-5-9-7-11-9/h8-9H,1-7H2
- InChI Key： NWBKYDBUDMLQQN-UHFFFAOYSA-N
- SMILES： O1CC1CCCCCC1CO1
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 111
- 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: 1.6
- Topological Polar Surface Area: 25.1?2
Experimental Properties
- Density: 0.9188 (rough estimate)
- Boiling Point: 220.47°C (rough estimate)
- Refractive Index: 1.4350 (estimate)
- PSA: 25.06
Oxirane,2,2'-(1,5-pentanediyl)bis- Related Literature
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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