Cas no 81708-87-4 (1-Octyn-3-ol,3,6-dimethyl-)
1-Octyn-3-ol,3,6-dimethyl- structure
Product Name:1-Octyn-3-ol,3,6-dimethyl-
CAS No:81708-87-4
MF:C10H18O
MW:154.249323368073
CID:724371
PubChem ID:174244
Update Time:2025-04-19
1-Octyn-3-ol,3,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Octyn-3-ol,3,6-dimethyl-
- 3,6-dimethyloct-1-yn-3-ol
- 81708-87-4
- SCHEMBL11129394
- 3,6-Dimethyl-oct-1-yn-3ol
- 3,6-Dimethyl-1-octyn-3-ol
- 1-Octyn-3-ol, 3,6-dimethyl-
- RCNQUZFTDSPUSO-UHFFFAOYSA-N
- DTXSID60868623
- 3,6-dimethyl-oct-1-yn-3-ol
-
- Inchi： 1S/C10H18O/c1-5-9(3)7-8-10(4,11)6-2/h2,9,11H,5,7-8H2,1,3-4H3
- InChI Key： RCNQUZFTDSPUSO-UHFFFAOYSA-N
- SMILES： OC(C#C)(C)CCC(C)CC
Computed Properties
- Exact Mass: 154.136
- Monoisotopic Mass: 154.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 154
- 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: 2.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.879
- Boiling Point: 184.3°C at 760 mmHg
- Flash Point: 65.9°C
- Refractive Index: 1.456
1-Octyn-3-ol,3,6-dimethyl- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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