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1-(1-Ethoxyethoxy)propane

PubChem CID: 30220

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Compound Synonyms 1-(1-Ethoxyethoxy)propane, 20680-10-8, 1-ETHOXY-1-PROPOXYETHANE, Propane, 1-(1-ethoxyethoxy)-, Acetaldehyde ethyl propyl acetal, Acetaldehyde, ethyl propyl acetal, R57Y77S7R5, EINECS 243-963-4, ETHYL PROPYL ACETAL, AI3-38086, DTXSID30864955, ETHANE, 1-ETHOXY-1-PROPOXY-, 1?-?(1-Ethoxyethoxy)?propane, Ethane, 1-ethoxy-1-propoxy, UNII-R57Y77S7R5, SCHEMBL3504284, DTXCID00813415, DB-310804, NS00051472, 1-Ethoxy-1-propoxyethane, Ethyl Propyl Acetal, , 243-963-4
Topological Polar Surface Area 18.5
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 9.0
Isotope Atom Count 0.0
Molecular Complexity 54.9
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-(1-ethoxyethoxy)propane
Prediction Hob 1.0
Xlogp 1.4
Molecular Formula C7H16O2
Prediction Swissadme 0.0
Inchi Key XKPTXCDASJWOLK-UHFFFAOYSA-N
Fcsp3 1.0
Logs -1.224
Rotatable Bond Count 5.0
Logd 1.405
Compound Name 1-(1-Ethoxyethoxy)propane
Prediction Hob Swissadme 0.0
Exact Mass 132.115
Formal Charge 0.0
Monoisotopic Mass 132.115
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 132.2
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -1.1927586
Inchi InChI=1S/C7H16O2/c1-4-6-9-7(3)8-5-2/h7H,4-6H2,1-3H3
Smiles CCCOC(C)OCC
Nring 0.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients