Cas no 51758-17-9 (2-Oxetanone, 4-octyl-)
2-Oxetanone, 4-octyl- structure
Product Name:2-Oxetanone, 4-octyl-
CAS No:51758-17-9
MF:C11H20O2
MW:184.275303840637
CID:361510
PubChem ID:14325251
Update Time:2025-04-19
2-Oxetanone, 4-octyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxetanone, 4-octyl-
- 4-octyloxetan-2-one
- 4-octyl-2-oxetanone
- DTXSID50558965
- SCHEMBL15656881
- 2-Oxetanone, 4-octyl (.beta.-undecalactone)
- QVOWOUXELCKCEW-UHFFFAOYSA-N
- 4-octyl-oxetan-2-one
- 51758-17-9
-
- Inchi： 1S/C11H20O2/c1-2-3-4-5-6-7-8-10-9-11(12)13-10/h10H,2-9H2,1H3
- InChI Key： QVOWOUXELCKCEW-UHFFFAOYSA-N
- SMILES： O1C(CC1CCCCCCCC)=O
Computed Properties
- Exact Mass: 184.1464
- Monoisotopic Mass: 184.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 154
- 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: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Oxetanone, 4-octyl- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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