Cas no 54315-33-2 (1-Octyn-3-ol, acetate)
1-Octyn-3-ol, acetate structure
Product Name:1-Octyn-3-ol, acetate
CAS No:54315-33-2
MF:C10H18O3
MW:186.248123645782
CID:354900
PubChem ID:71364764
Update Time:2025-04-19
1-Octyn-3-ol, acetate Chemical and Physical Properties
Names and Identifiers
-
- 1-Octyn-3-ol, acetate
- acetic acid,oct-1-yn-3-ol
- oct-1-yn-3-yl acetate
- 54315-33-2
- Acetic acid--oct-1-yn-3-ol (1/1)
- DTXSID40788214
-
- Inchi： 1S/C8H14O.C2H4O2/c1-3-5-6-7-8(9)4-2;1-2(3)4/h2,8-9H,3,5-7H2,1H3;1H3,(H,3,4)
- InChI Key： DAAOQGZOUIBLHV-UHFFFAOYSA-N
- SMILES： OC(C#C)CCCCC.OC(C)=O
Computed Properties
- Exact Mass: 186.12564
- Monoisotopic Mass: 186.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 129
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
1-Octyn-3-ol, acetate Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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