Cas no 57778-94-6 (2H-Pyran-2-one, 3,5-diethyltetrahydro-4-propyl-)
57778-94-6 structure
Product Name:2H-Pyran-2-one, 3,5-diethyltetrahydro-4-propyl-
CAS No:57778-94-6
MF:C12H22O2
MW:198.301884174347
CID:344222
PubChem ID:12576600
Update Time:2025-04-19
2H-Pyran-2-one, 3,5-diethyltetrahydro-4-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-one, 3,5-diethyltetrahydro-4-propyl-
- 3,5-diethyl-4-propyloxan-2-one
- SCHEMBL23053198
- 2,4-diethyl-3-n-propyl-delta-valerolactone
- 3,5-diethyl-4-propyl-tetrahydro-pyran-2-one
- 57778-94-6
- DTXSID10503138
-
- Inchi： 1S/C12H22O2/c1-4-7-11-9(5-2)8-14-12(13)10(11)6-3/h9-11H,4-8H2,1-3H3
- InChI Key： USPXCCSBBHDVMS-UHFFFAOYSA-N
- SMILES： O1C(C(CC)C(CCC)C(CC)C1)=O
Computed Properties
- Exact Mass: 198.16206
- Monoisotopic Mass: 198.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2H-Pyran-2-one, 3,5-diethyltetrahydro-4-propyl- Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
57778-94-6 (2H-Pyran-2-one, 3,5-diethyltetrahydro-4-propyl-) Related Products
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- 2094-73-7(1-Adamantylcarboxylic Acid Ethyl Ester)
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- 110238-91-0(methyl oxane-4-carboxylate)
- 14924-53-9(Ethyl cyclobutanecarboxylate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
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