Cas no 844640-20-6 (Octane, 2-(1,1-dimethylethoxy)-)
844640-20-6 structure
Product Name:Octane, 2-(1,1-dimethylethoxy)-
CAS No:844640-20-6
MF:C12H26O
MW:186.334244251251
CID:667157
PubChem ID:12193481
Update Time:2025-04-19
Octane, 2-(1,1-dimethylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Octane, 2-(1,1-dimethylethoxy)-
- 2-[(2-methylpropan-2-yl)oxy]octane
- DTXSID30479902
- 2-t-Butoxyoctane
- 844640-20-6
-
- Inchi： 1S/C12H26O/c1-6-7-8-9-10-11(2)13-12(3,4)5/h11H,6-10H2,1-5H3
- InChI Key： RPDXBCHKWMUFMB-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)C(C)CCCCCC
Computed Properties
- Exact Mass: 186.198365449g/mol
- Monoisotopic Mass: 186.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 113
- 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: 4.4
- Topological Polar Surface Area: 9.2?2
Octane, 2-(1,1-dimethylethoxy)- Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
844640-20-6 (Octane, 2-(1,1-dimethylethoxy)-) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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