2-{[(2-Ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methoxy]methyl}pyridine

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Basic information

CAS: 88664-46-4
Standard SMILES: CCC1(COCc2ccccn2)CCC2(CCOCC2)O1
InChIKey: RNKLGFNRXCVTHE-UHFFFAOYSA-N
Molecular formula: C17H25NO3
Average molar mass: 291.4 g/mol
Monoisotopic mass: 291.18344366

Names & identifiers

Preferred name: 2-{[(2-Ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methoxy]methyl}pyridine
IUPAC: 2-[(2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methoxymethyl]pyridine

Names & synonyms

88664-46-4DTXSID70530925RNKLGFNRXCVTHE-UHFFFAOYSA-N2-{[(2-Ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methoxy]methyl}pyridine2-Ethyl-2-((2-pyridinyl)methoxymethyl)-1,8-dioxaspiro[4.5]decane

Database identifiers

CAS: 88664-46-4
PubChem CID: 13237166
DTXSID: DTXSID70530925

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 330

Related reactions

2 records

New reaction record

HRID 292064As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 647749As productuspto-grants-1983_10

Compound notes

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