Cas no 91283-76-0 (Clavakerin C)
Clavakerin C structure
Product Name:Clavakerin C
CAS No:91283-76-0
MF:C12H18O2
MW:194.270123958588
CID:2039424
Update Time:2025-03-10
Clavakerin C Chemical and Physical Properties
Names and Identifiers
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- Clavakerin C
- clavukerin C
- Hydroperoxide, (1R,4S)-1,2,3,4,5,6-hexahydro-1,4-dimethyl-1-azulenyl
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- Inchi： 1S/C12H18O2/c1-9-5-3-4-6-11-10(9)7-8-12(11,2)14-13/h4,6,9,13H,3,5,7-8H2,1-2H3/t9-,12+/m0/s1
- InChI Key： YXEZAWSZBLOYHL-JOYOIKCWSA-N
- SMILES： C1[C@](OO)(C)C2C=CCC[C@@H](C=2C1)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- XLogP3: 2.13
Experimental Properties
- Density: 1.07±0.1 g/cm3(Predicted)
- Boiling Point: 327.6±12.0 °C(Predicted)
- pka: 12.45±0.40(Predicted)
Clavakerin C Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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