Cas no 20053-66-1 (dihydroagarofuran)
dihydroagarofuran structure
Product Name:dihydroagarofuran
CAS No:20053-66-1
MF:C15H26O
MW:222.366344928741
CID:908927
PubChem ID:10775429
Update Time:2025-04-19
dihydroagarofuran Chemical and Physical Properties
Names and Identifiers
-
- dihydroagarofuran
- (1S,2R,6S,9R)-2,6,10,10-Tetramethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane
- 2H-3,9a-methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, (3R,5aS,9R,9aS)-
- (1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane
- isodihydroagarofuran
- Deoxyisobaimuxinol
- 20053-66-1
- 2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, (3R-(3alpha,5aalpha,9beta,9aalpha))-
- alpha-Dihydroagarofuran
-
- Inchi: 1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12+,14-,15-/m0/s1
- InChI Key: HVAVUZLEYSAYGE-NEBZKDRISA-N
- SMILES: O1C(C)(C)[C@@H]2CC[C@]3(C)CCC[C@H](C)[C@]13C2
Computed Properties
- Exact Mass: 222.19848
- Monoisotopic Mass: 222.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 309
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
dihydroagarofuran Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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