Cas no 180526-11-8 (3,6-Heptadiyn-1-ol)
3,6-Heptadiyn-1-ol structure
Product Name:3,6-Heptadiyn-1-ol
CAS No:180526-11-8
MF:C7H8O
MW:108.137822151184
CID:1371464
PubChem ID:10534631
Update Time:2025-04-20
3,6-Heptadiyn-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 3,6-Heptadiyn-1-ol
- hepta-3,6-diyn-1-ol
- DTXSID20441299
- 180526-11-8
- 3,6-heptadiynol
- LJFMPEDCJRYBFO-UHFFFAOYSA-N
- 3,6 heptadiynol
- SCHEMBL7904248
-
- Inchi： 1S/C7H8O/c1-2-3-4-5-6-7-8/h1,8H,3,6-7H2
- InChI Key： LJFMPEDCJRYBFO-UHFFFAOYSA-N
- SMILES： OCCC#CCC#C
Computed Properties
- Exact Mass: 108.05754
- Monoisotopic Mass: 108.057514874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 147
- 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: 0.8
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
3,6-Heptadiyn-1-ol Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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