6,19-Ditert-butyl-3,16-dioxa-1,6,14,19-tetrazatricyclo[20.4.0.09,14]hexacosane

HCID 335666

Notes Reactions

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Basic information

CAS: 71309-96-1
Standard SMILES: CC(C)(C)N1CCOCN2CCCCC2CCN(C(C)(C)C)CCOCN2CCCCC2CC1
InChIKey: RIYKMJGEIUJKGZ-UHFFFAOYSA-N
Molecular formula: C28H56N4O2
Average molar mass: 480.8 g/mol
Monoisotopic mass: 480.44032704

Names & identifiers

Preferred name: 6,19-Ditert-butyl-3,16-dioxa-1,6,14,19-tetrazatricyclo[20.4.0.09,14]hexacosane
IUPAC: 6,19-ditert-butyl-3,16-dioxa-1,6,14,19-tetrazatricyclo[20.4.0.09,14]hexacosane

Names & synonyms

NSC34646871309-96-1DTXSID10319498NSC-34646810,22-Di-tert-butylicosahydro-6H,18H-dipyrido[1,2-c:1',2'-l][1,10,3,7,12,16]dioxatetraazacyclooctadecine10,22-Di-tert-butylicosahydrodipyrido[1,2-c:1',2'-l][1,10,3,7,12,16]dioxatetraazacyclooctadecine

Database identifiers

CAS: 71309-96-1
PubChem CID: 335666
DTXSID: DTXSID10319498

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 31.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 34
Formal charge: 0
Complexity: 524

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