Cas no 24434-07-9 (4-Octyne-3,6-diol)
4-Octyne-3,6-diol structure
Product Name:4-Octyne-3,6-diol
CAS No:24434-07-9
MF:C8H14O2
MW:142.195562839508
CID:1418568
PubChem ID:546161
Update Time:2025-04-20
4-Octyne-3,6-diol Chemical and Physical Properties
Names and Identifiers
-
- 4-Octyne-3,6-diol
- oct-4-yne-3,6-diol
- SCHEMBL737214
- YGMADCGBQRYLND-UHFFFAOYSA-N
- DTXSID80338075
- 24434-07-9
-
- Inchi： 1S/C8H14O2/c1-3-7(9)5-6-8(10)4-2/h7-10H,3-4H2,1-2H3
- InChI Key： YGMADCGBQRYLND-UHFFFAOYSA-N
- SMILES： OC(C#CC(CC)O)CC
Computed Properties
- Exact Mass: 142.09942
- Monoisotopic Mass: 142.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 126
- 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: 0.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
4-Octyne-3,6-diol Related Literature
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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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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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