Cas no 799268-19-2 (1-Oxaspiro[5.5]undecan-2-one,10-methyl-7-(1-methylethyl)-,(6S,7S,10R)-(9CI))
![1-Oxaspiro[5.5]undecan-2-one,10-methyl-7-(1-methylethyl)-,(6S,7S,10R)-(9CI) structure](https://ossimg.kuujia.com/scimg/799500/799268-19-2x500.png)
799268-19-2 structure
Product Name:1-Oxaspiro[5.5]undecan-2-one,10-methyl-7-(1-methylethyl)-,(6S,7S,10R)-(9CI)
CAS No:799268-19-2
MF:C14H24O2
MW:224.339164733887
CID:556798
Update Time:2023-03-29
1-Oxaspiro[5.5]undecan-2-one,10-methyl-7-(1-methylethyl)-,(6S,7S,10R)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1-Oxaspiro[5.5]undecan-2-one,10-methyl-7-(1-methylethyl)-, (6S,7S,10R)-
- 1-Oxaspiro[5.5]undecan-2-one,10-methyl-7-(1-methylethyl)-,(6S,7S,10R)-(9CI)
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- Inchi： 1S/C14H24O2/c1-10(2)12-7-6-11(3)9-14(12)8-4-5-13(15)16-14/h10-12H,4-9H2,1-3H3/t11-,12+,14+/m1/s1
- InChI Key： ASFGQSFCIHVRQD-DYEKYZERSA-N
- SMILES： O1[C@]2(C[C@H](C)CC[C@H]2C(C)C)CCCC1=O
Computed Properties
- Exact Mass: 224.178
- Monoisotopic Mass: 224.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 272
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
1-Oxaspiro[5.5]undecan-2-one,10-methyl-7-(1-methylethyl)-,(6S,7S,10R)-(9CI) Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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