1-octyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine

HCID 335673

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Basic information

CAS: 81684-19-7
Standard SMILES: CCCCCCCCC1OCN2CCCCC12
InChIKey: YOYQJRAQOMKDOD-UHFFFAOYSA-N
Molecular formula: C15H29NO
Average molar mass: 239.4 g/mol
Monoisotopic mass: 239.22491455

Names & identifiers

Preferred name: 1-octyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
IUPAC: 1-octyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine

Names & synonyms

81684-19-7NSC3464771-octyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridineDTXSID80319501NSC-3464771-Octylhexahydro-3H-[1,3]oxazolo[3,4-a]pyridine

Database identifiers

CAS: 81684-19-7
PubChem CID: 335673
DTXSID: DTXSID80319501

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 17
Formal charge: 0
Complexity: 207

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