Cas no 6075-11-2 (1,5-di-2-furylpentan-3-one)
1,5-di-2-furylpentan-3-one structure
Product Name:1,5-di-2-furylpentan-3-one
1,5-di-2-furylpentan-3-one Chemical and Physical Properties
Names and Identifiers
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- 1,5-di-2-furylpentan-3-one
- BRN 0200601; 1,5-difurylpentan-3-ol; 1,5-di-[2]furyl-pentan-3-one; 1,5-Di-[2]furyl-pentan-3-on; 1,5-difuryl-3-pentanone; 1,5-Di-2-furyl-3-pentanone; WLN: T5OJ B2V2- BT5OJ; 3-Pentanone, 1,5-di-2-furanyl-; EINECS 228-011-8; 1,5-difurylpentan-3-one; 3-Pentanone, 1,5-di-2-furyl-; 1,5-Di-2-furylpentan-3-one; MLS002638598; 1,5-di-furan-2-yl-pentan-3-one;
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- Inchi： 1S/C13H14O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-4,9-10H,5-8H2
- InChI Key： PUKWJEYNRZPXEX-UHFFFAOYSA-N
- SMILES： O1C=CC=C1CCC(CCC1=CC=CO1)=O
Computed Properties
- Exact Mass: 218.09432
- Monoisotopic Mass: 218.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.35
- LogP: 3.00710
1,5-di-2-furylpentan-3-one Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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