Cas no 62394-47-2 (Octane, 1-(1,1-diethoxyethoxy)-)
62394-47-2 structure
Product Name:Octane, 1-(1,1-diethoxyethoxy)-
CAS No:62394-47-2
MF:C14H30O3
MW:246.386205196381
CID:446395
PubChem ID:20308991
Update Time:2025-04-19
Octane, 1-(1,1-diethoxyethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Octane, 1-(1,1-diethoxyethoxy)-
- 1-(1,1-diethoxyethoxy)octane
- 62394-47-2
- DTXSID90604955
- SCHEMBL11622968
-
- Inchi： 1S/C14H30O3/c1-5-8-9-10-11-12-13-17-14(4,15-6-2)16-7-3/h5-13H2,1-4H3
- InChI Key： YQXCJEXIMSEWBT-UHFFFAOYSA-N
- SMILES： O(C(C)(OCC)OCC)CCCCCCCC
Computed Properties
- Exact Mass: 246.2196
- Monoisotopic Mass: 246.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 12
- Complexity: 154
- 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: 4.4
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
Octane, 1-(1,1-diethoxyethoxy)- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
62394-47-2 (Octane, 1-(1,1-diethoxyethoxy)-) Related Products
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