Pyrrolidine, 1-(2-(2-(2-(2-(thymyloxy)ethoxy)ethoxy)ethoxy)ethyl)-

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Basic information

CAS: 859-21-2
Standard SMILES: Cc1ccc(C(C)C)c(OCCOCCOCCOCCN2CCCC2)c1
InChIKey: WGYUEWREKQVDSX-UHFFFAOYSA-N
Molecular formula: C22H37NO4
Average molar mass: 379.5 g/mol
Monoisotopic mass: 379.27225866

Names & identifiers

Preferred name: Pyrrolidine, 1-(2-(2-(2-(2-(thymyloxy)ethoxy)ethoxy)ethoxy)ethyl)-
IUPAC: 1-[2-[2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine

Names & synonyms

BRN 1396639Pyrrolidine, 1-(2-(2-(2-(2-(thymyloxy)ethoxy)ethoxy)ethoxy)ethyl)-859-21-2DTXSID302352271-(2-(2-(2-(2-(Thymyloxy)ethoxy)ethoxy)ethoxy)ethyl)pyrrolidine5-20-01-00207 (Beilstein Handbook Reference)RefChem:377965DTXCID301577181-{2-[2-(2-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}ethoxy)ethoxy]ethyl}pyrrolidine

Database identifiers

CAS: 859-21-2
PubChem CID: 120409
DTXSID: DTXSID30235227
Nikkaji: J107.023A

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 40.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 14
Heavy atoms: 27
Formal charge: 0
Complexity: 360

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Compound notes

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