Cas no 3459-83-4 (Propane, 1,3-diethoxy-)
Propane, 1,3-diethoxy- structure
Product Name:Propane, 1,3-diethoxy-
Propane, 1,3-diethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Propane, 1,3-diethoxy-
- 1,3-Diethoxypropane
- SCHEMBL407895
- IOQSSIPMPIYMDF-UHFFFAOYSA-N
- diethoxy propane
- NS00007853
- 3459-83-4
- 3,7-dioxanonane
- DTXSID00188150
- EC 413-140-6
- MFCD25292962
- DTXCID30110641
- G69464
-
- Inchi： 1S/C7H16O2/c1-3-8-6-5-7-9-4-2/h3-7H2,1-2H3
- InChI Key： IOQSSIPMPIYMDF-UHFFFAOYSA-N
- SMILES： O(CC)CCCOCC
Computed Properties
- Exact Mass: 132.11508
- Monoisotopic Mass: 132.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 6
- Complexity: 40.2
- 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: 1
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Propane, 1,3-diethoxy- Related Literature
-
1. Use of a neural network to determine the normal boiling points of acyclic ethers, peroxides, acetals and their sulfur analoguesDriss Cherqaoui,Didier Villemin,Abdelhalim Mesbah,Jean-Michel Cense,Vladimir Kvasnicka J. Chem. Soc. Faraday Trans. 1994 90 2015
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