Cas no 61478-11-3 (Heptane, 1,6-bis(1,1-dimethylethoxy)-)
61478-11-3 structure
Product Name:Heptane, 1,6-bis(1,1-dimethylethoxy)-
CAS No:61478-11-3
MF:C15H32O2
MW:244.413385391235
CID:477928
PubChem ID:71395483
Update Time:2025-04-19
Heptane, 1,6-bis(1,1-dimethylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Heptane, 1,6-bis(1,1-dimethylethoxy)-
- 1,6-bis[(2-methylpropan-2-yl)oxy]heptane
- 61478-11-3
- SCHEMBL13538391
- DTXSID80817097
- 1,6-Di-tert-butoxyheptane
-
- Inchi： 1S/C15H32O2/c1-13(17-15(5,6)7)11-9-8-10-12-16-14(2,3)4/h13H,8-12H2,1-7H3
- InChI Key： NACXWEHCEXKVBY-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)C(C)CCCCCOC(C)(C)C
Computed Properties
- Exact Mass: 244.24036
- Monoisotopic Mass: 244.240230259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 9
- Complexity: 186
- 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: 3.8
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Heptane, 1,6-bis(1,1-dimethylethoxy)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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