Cas no 56085-20-2 (1-Octyn-4-ol, (4S)-)
1-Octyn-4-ol, (4S)- structure
Product Name:1-Octyn-4-ol, (4S)-
CAS No:56085-20-2
MF:C8H14O
MW:126.196162700653
CID:349889
PubChem ID:12786164
Update Time:2025-04-19
1-Octyn-4-ol, (4S)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Octyn-4-ol, (4S)-
- 56085-20-2
- SCHEMBL10977796
- (4S)-OCT-1-YN-4-OL
- CNKOTDLNZPTGOY-MRVPVSSYSA-N
- (S)- 4-hydroxy-1-octyne
- DTXSID80509809
- (S)-4-hydroxy-1-octyne
- (S)-4 -hydroxy-1-octyne
- (S)- 4-hydroxyl-1-octyne
- (S)-4-hydroxy- 1-octyne
-
- Inchi： 1S/C8H14O/c1-3-5-7-8(9)6-4-2/h2,8-9H,3,5-7H2,1H3/t8-/m1/s1
- InChI Key： CNKOTDLNZPTGOY-MRVPVSSYSA-N
- SMILES： O[C@H](CC#C)CCCC
Computed Properties
- Exact Mass: 126.10452
- Monoisotopic Mass: 126.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 98.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
1-Octyn-4-ol, (4S)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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