Cas no 21133-22-2 (3-Pentanone, 1,5-bis(tetrahydro-2-furanyl)-)
21133-22-2 structure
Product Name:3-Pentanone, 1,5-bis(tetrahydro-2-furanyl)-
CAS No:21133-22-2
MF:C13H22O3
MW:226.311984539032
CID:1402366
PubChem ID:57693788
Update Time:2025-04-20
3-Pentanone, 1,5-bis(tetrahydro-2-furanyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentanone, 1,5-bis(tetrahydro-2-furanyl)-
- 1,5-bis(oxolan-2-yl)pentan-3-one
- 1,5-ditetrahydrofurylpentan3-one
- SCHEMBL12897250
- DTXSID10727554
- 21133-22-2
-
- Inchi： 1S/C13H22O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h12-13H,1-10H2
- InChI Key： HJVYYGDXIUORHP-UHFFFAOYSA-N
- SMILES： O1CCCC1CCC(CCC1CCCO1)=O
Computed Properties
- Exact Mass: 226.15696
- Monoisotopic Mass: 226.15689456g/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 : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
3-Pentanone, 1,5-bis(tetrahydro-2-furanyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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