Cas no 61871-53-2 (2H-Pyran-2,6(3H)-dione, dihydro-4-methyl-4-pentyl-)
61871-53-2 structure
Product Name:2H-Pyran-2,6(3H)-dione, dihydro-4-methyl-4-pentyl-
CAS No:61871-53-2
MF:C11H18O3
MW:198.258823871613
CID:1631582
PubChem ID:12337237
Update Time:2025-04-21
2H-Pyran-2,6(3H)-dione, dihydro-4-methyl-4-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2,6(3H)-dione, dihydro-4-methyl-4-pentyl-
- 4-methyl-4-pentyloxane-2,6-dione
- DTXSID70491562
- 61871-53-2
-
- Inchi： 1S/C11H18O3/c1-3-4-5-6-11(2)7-9(12)14-10(13)8-11/h3-8H2,1-2H3
- InChI Key： CEXRQGCGUJBTFW-UHFFFAOYSA-N
- SMILES： O1C(CC(C)(CC1=O)CCCCC)=O
Computed Properties
- Exact Mass: 198.12564
- Monoisotopic Mass: 198.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 217
- 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: 2.9
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
2H-Pyran-2,6(3H)-dione, dihydro-4-methyl-4-pentyl- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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