Cas no 3876-62-8 (2,4-Hexadiyn-1-ol)
2,4-Hexadiyn-1-ol structure
Product Name:2,4-Hexadiyn-1-ol
CAS No:3876-62-8
MF:C6H6O
MW:94.1112418174744
CID:1490769
PubChem ID:12642063
Update Time:2025-04-21
2,4-Hexadiyn-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadiyn-1-ol
- hexa-2,4-diyn-1-ol
- 3876-62-8
- DTXSID80505386
-
- Inchi： 1S/C6H6O/c1-2-3-4-5-6-7/h7H,6H2,1H3
- InChI Key： OVNDGPBXVBJISI-UHFFFAOYSA-N
- SMILES： OCC#CC#CC
Computed Properties
- Exact Mass: 94.04188
- Monoisotopic Mass: 94.041864811g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
2,4-Hexadiyn-1-ol Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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