Cas no 14400-73-8 (3,5-Octadiyne-2,7-diol)
3,5-Octadiyne-2,7-diol structure
Product Name:3,5-Octadiyne-2,7-diol
CAS No:14400-73-8
MF:C8H10O2
MW:138.163802623749
CID:184759
PubChem ID:299571
Update Time:2025-04-19
3,5-Octadiyne-2,7-diol Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Octadiyne-2,7-diol
- octa-3,5-diyne-2,7-diol
- AC1L6UTW
- CTK0H9420
- NSC172807
- Octa-3,5-diin-2,7-diol
- Octadiin-(3,5)-diol-(2,7)
- NSC-172807
- SCHEMBL11823906
- 14400-73-8
- DTXSID30305939
-
- Inchi： 1S/C8H10O2/c1-7(9)5-3-4-6-8(2)10/h7-10H,1-2H3
- InChI Key： SGGKZYNWSYKYTM-UHFFFAOYSA-N
- SMILES： OC(C#CC#CC(C)O)C
Computed Properties
- Exact Mass: 138.0681
- Monoisotopic Mass: 138.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 191
- 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: 0.1
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.123
- Boiling Point: 271.7°C at 760 mmHg
- Flash Point: 131.6°C
- Refractive Index: 1.532
- PSA: 40.46
- LogP: -0.24520
3,5-Octadiyne-2,7-diol Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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