Cas no 65090-68-8 (3,6-Dodecadiyn-1-ol)
3,6-Dodecadiyn-1-ol structure
Product Name:3,6-Dodecadiyn-1-ol
CAS No:65090-68-8
MF:C12H18O
MW:178.270723819733
CID:408103
PubChem ID:10261659
Update Time:2025-04-19
3,6-Dodecadiyn-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 3,6-Dodecadiyn-1-ol
- dodeca-3,6-diyn-1-ol
- DTXSID20437450
- 65090-68-8
-
- Inchi： 1S/C12H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-5,8,11-12H2,1H3
- InChI Key： ZPRFQUBWBYXKQB-UHFFFAOYSA-N
- SMILES： OCCC#CCC#CCCCCC
Computed Properties
- Exact Mass: 178.13584
- Monoisotopic Mass: 178.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 227
- 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: 3.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
3,6-Dodecadiyn-1-ol Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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