Cas no 71820-40-1 ((2S,5S)-2-methyl-5-pentyldihydrofuran-3(2H)-one)
71820-40-1 structure
Product Name:(2S,5S)-2-methyl-5-pentyldihydrofuran-3(2H)-one
CAS No:71820-40-1
MF:C10H18O2
MW:170.248723506927
CID:1750870
PubChem ID:21156048
Update Time:2025-04-21
(2S,5S)-2-methyl-5-pentyldihydrofuran-3(2H)-one Chemical and Physical Properties
Names and Identifiers
-
- (2S,5S)-2-methyl-5-pentyldihydrofuran-3(2H)-one
- (2S,5S)-2-methyl-5-pentyloxolan-3-one
- Dihydro-2-methyl-5-pentyl-3(2H)-furanone
- XLPAUDSMYFHMHV-UHFFFAOYSA-N
- DTXSID40887993
- 71820-40-1
- 3(2H)-Furanone, dihydro-2-methyl-5-pentyl-
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- Inchi： 1S/C10H18O2/c1-3-4-5-6-9-7-10(11)8(2)12-9/h8-9H,3-7H2,1-2H3
- InChI Key： XLPAUDSMYFHMHV-UHFFFAOYSA-N
- SMILES： O1C(C)C(CC1CCCCC)=O
Computed Properties
- Exact Mass: 170.13074
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 154
- 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: 2.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.928
- Boiling Point: 245°C at 760 mmHg
- Flash Point: 93.3°C
- Refractive Index: 1.437
- PSA: 26.3
(2S,5S)-2-methyl-5-pentyldihydrofuran-3(2H)-one Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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