Cas no 55091-76-4 (2(3H)-Furanone, 3-butyldihydro-5-methyl-, trans-)
55091-76-4 structure
Product Name:2(3H)-Furanone, 3-butyldihydro-5-methyl-, trans-
CAS No:55091-76-4
MF:C9H16O2
MW:156.222143173218
CID:352856
PubChem ID:71364310
Update Time:2025-04-19
2(3H)-Furanone, 3-butyldihydro-5-methyl-, trans- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Furanone, 3-butyldihydro-5-methyl-, trans-
- DTXSID80787786
- 55091-76-4
- (3S,5S)-3-Butyl-5-methyloxolan-2-one
-
- Inchi： 1S/C9H16O2/c1-3-4-5-8-6-7(2)11-9(8)10/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
- InChI Key： SLHHEERUKABFQC-YUMQZZPRSA-N
- SMILES： O1C([C@@H](CCCC)C[C@@H]1C)=O
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2(3H)-Furanone, 3-butyldihydro-5-methyl-, trans- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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