Cas no 13033-21-1 (2,4,6-Octatriyn-1-ol)
2,4,6-Octatriyn-1-ol structure
Product Name:2,4,6-Octatriyn-1-ol
CAS No:13033-21-1
MF:C8H6O
MW:118.132642269135
CID:1225548
PubChem ID:11679812
Update Time:2025-04-20
2,4,6-Octatriyn-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-Octatriyn-1-ol
- Octa-2,4,6-triyn-1-ol
- CHEBI:173439
- 13033-21-1
- DTXSID701315213
- LMFA05000606
-
- Inchi： 1S/C8H6O/c1-2-3-4-5-6-7-8-9/h9H,8H2,1H3
- InChI Key： CDDRQTICNABTAT-UHFFFAOYSA-N
- SMILES： CC#CC#CC#CCO
Computed Properties
- Exact Mass: 118.04188
- Monoisotopic Mass: 118.041864811g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 259
- 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: 1
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
2,4,6-Octatriyn-1-ol Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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