Cas no 62759-47-1 (4-Octanone, 5-hydroxy-3,6-dimethyl-)
62759-47-1 structure
Product Name:4-Octanone, 5-hydroxy-3,6-dimethyl-
CAS No:62759-47-1
MF:C10H20O2
MW:172.264603614807
CID:432257
PubChem ID:542301
Update Time:2025-04-19
4-Octanone, 5-hydroxy-3,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Octanone, 5-hydroxy-3,6-dimethyl-
- 5-hydroxy-3,6-dimethyloctan-4-one
- SCHEMBL106497
- DTXSID10337379
- 5-Hydroxy-3,6-dimethyl-4-octanone #
- 62759-47-1
- GSJAAYADCPJELY-UHFFFAOYSA-N
-
- Inchi： 1S/C10H20O2/c1-5-7(3)9(11)10(12)8(4)6-2/h7-9,11H,5-6H2,1-4H3
- InChI Key： GSJAAYADCPJELY-UHFFFAOYSA-N
- SMILES： OC(C(C(C)CC)=O)C(C)CC
Computed Properties
- Exact Mass: 172.1464
- Monoisotopic Mass: 172.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 143
- 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: 2.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
4-Octanone, 5-hydroxy-3,6-dimethyl- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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