Cas no 57877-72-2 (3(2H)-Furanone, 5-methyl-2-octyl-)
57877-72-2 structure
Product Name:3(2H)-Furanone, 5-methyl-2-octyl-
CAS No:57877-72-2
MF:C13H22O2
MW:210.312584400177
CID:343895
PubChem ID:529383
Update Time:2025-04-19
3(2H)-Furanone, 5-methyl-2-octyl- Chemical and Physical Properties
Names and Identifiers
-
- 3(2H)-Furanone, 5-methyl-2-octyl-
- 5-methyl-2-octylfuran-3-one
- 2,3-Dihydro-2-n-octyl-5-methyl-furan-3-one
- 2,3-Dihydro-5-methyl-2-n-octylfuran-3-one
- 2H-Furan-3-one, 5-methyl-2-octyl
- Cepanone
- 5-Methyl-2-octyl-3(2H)-furanone #
- 57877-72-2
- 5-methyl-2-octyluran-3-one
- 2,3-dihydro-2-octyl-5-methylfuran-3-one
- CHEBI:174067
- 5-Methyl-2-octyl-3(2H)-furanone
- 5-methyl-2-octyl-2,3-dihydrofuran-3-one
- SCHEMBL18548753
- ZLLDSWALGJWTSW-UHFFFAOYSA-N
- DTXSID00336154
-
- Inchi： 1S/C13H22O2/c1-3-4-5-6-7-8-9-13-12(14)10-11(2)15-13/h10,13H,3-9H2,1-2H3
- InChI Key： ZLLDSWALGJWTSW-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(C1CCCCCCCC)=O
Computed Properties
- Exact Mass: 210.16206
- Monoisotopic Mass: 210.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 231
- 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: 4.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3(2H)-Furanone, 5-methyl-2-octyl- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
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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