Cas no 61540-94-1 (1,7-Octadien-4-yne-3,6-diol)
1,7-Octadien-4-yne-3,6-diol structure
Product Name:1,7-Octadien-4-yne-3,6-diol
CAS No:61540-94-1
MF:C8H10O2
MW:138.163802623749
CID:475686
PubChem ID:71394809
Update Time:2025-04-19
1,7-Octadien-4-yne-3,6-diol Chemical and Physical Properties
Names and Identifiers
-
- 1,7-Octadien-4-yne-3,6-diol
- octa-1,7-dien-4-yne-3,6-diol
- DTXSID70816478
- 61540-94-1
-
- Inchi： 1S/C8H10O2/c1-3-7(9)5-6-8(10)4-2/h3-4,7-10H,1-2H2
- InChI Key： SRRXMQPHRGZCTN-UHFFFAOYSA-N
- SMILES： OC(C#CC(C=C)O)C=C
Computed Properties
- Exact Mass: 138.0681
- Monoisotopic Mass: 138.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 164
- 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: 0.6
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,7-Octadien-4-yne-3,6-diol Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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