Cas no 29210-76-2 (7-Octyne-2,6-diol,2,6-dimethyl-)
29210-76-2 structure
Product Name:7-Octyne-2,6-diol,2,6-dimethyl-
CAS No:29210-76-2
MF:C10H18O2
MW:170.248723506927
CID:291028
PubChem ID:120153
Update Time:2025-04-19
7-Octyne-2,6-diol,2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 7-Octyne-2,6-diol,2,6-dimethyl-
- 2,6-Dimethyloct-7-yne-2,6-diol
- NS00051372
- YM6547GR9M
- DTXSID80892223
- EINECS 249-510-7
- SCHEMBL11783480
- AKOS032408191
- 2,6-Dimethyl-7-octyne-2,6-diol
- 29210-76-2
- 7-Octyne-2,6-diol, 2,6-dimethyl-
-
- Inchi： 1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h1,11-12H,6-8H2,2-4H3
- InChI Key： JJRIKWAHJMMDSF-UHFFFAOYSA-N
- SMILES： OC(C)(C)CCCC(C#C)(C)O
Computed Properties
- Exact Mass: 170.13074
- Monoisotopic Mass: 170.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.987
- Boiling Point: 292.1°Cat760mmHg
- Flash Point: 135.5°C
- Refractive Index: 1.482
- PSA: 40.46
7-Octyne-2,6-diol,2,6-dimethyl- Related Literature
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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