24-(1,3,2-Dioxaborolan-2-yl)-3,6,9,12,15,18-hexaoxabicyclo(18.3.1)tetracosa-1(24),20,22-triene

HCID 542437

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Basic information

CAS: 139720-00-6
Standard SMILES: c1cc2c(B3OCCO3)c(c1)COCCOCCOCCOCCOCCOC2
InChIKey: LQCSHXJUVIPHDP-UHFFFAOYSA-N
Molecular formula: C20H31BO8
Average molar mass: 410.3 g/mol
Monoisotopic mass: 410.2111981

Names & identifiers

Preferred name: 24-(1,3,2-Dioxaborolan-2-yl)-3,6,9,12,15,18-hexaoxabicyclo(18.3.1)tetracosa-1(24),20,22-triene
IUPAC: 2-(3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-yl)-1,3,2-dioxaborolane

Names & synonyms

139720-00-624-(1,3,2-Dioxaborolan-2-yl)-3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-triene24-(1,3,2-Dioxaborolan-2-yl)-3,6,9,12,15,18-hexaoxabicyclo(18.3.1)tetracosa-1(24),20,22-trieneRefChem:267470LQCSHXJUVIPHDP-UHFFFAOYSA-NDTXSID00111841824-(1,3,2-Dioxaborolan-2-yl)-3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-triene #3,6,9,12,15,18-Hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-triene, 24-(1,3,2-dioxaborolan-2-yl)-

Database identifiers

CAS: 139720-00-6
PubChem CID: 542437
DTXSID: DTXSID001118418

Properties

Computed structural properties

Topological polar surface area: 73.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 1
Heavy atoms: 29
Formal charge: 0
Complexity: 382

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