Cas no 101537-26-2 (Octane, 1-(ethynyloxy)-)
Octane, 1-(ethynyloxy)- structure
Product Name:Octane, 1-(ethynyloxy)-
CAS No:101537-26-2
MF:C10H18O
MW:154.249323368073
CID:1132120
PubChem ID:10464534
Update Time:2025-04-20
Octane, 1-(ethynyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Octane, 1-(ethynyloxy)-
- 1-ethynoxyoctane
- SCHEMBL5698803
- DTXSID80440268
- 101537-26-2
-
- Inchi: 1S/C10H18O/c1-3-5-6-7-8-9-10-11-4-2/h2H,3,5-10H2,1H3
- InChI Key: NPFAVECNEWXGTP-UHFFFAOYSA-N
- SMILES: O(C#C)CCCCCCCC
Computed Properties
- Exact Mass: 154.13584
- Monoisotopic Mass: 154.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 8
- Complexity: 109
- 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: 4.1
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Octane, 1-(ethynyloxy)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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