6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-Hexadecahydrodibenzo[B,Q][1,4,7,10,13,16,19,22,25,28]Decaoxacyclotriacontine

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Properties Simple | Detailed

Formula C25H8O10
IUPAC Name (2z)-2-ethynyl-3-methyl-17,18-dimethylene-1,4,7,10,13,16,19,22,25,28-decaoxacyclotriacont-2-en-5,8,11,14,20,23,26,29-octayne
Molecular Mass 468.325 g·mol−1
Heat of Formation 2868.8 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 549.96 Å 3
Surface Area 440.56 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,17,18-dibenzo-1,4,7,10,13,16,19,22,25,28-decaoxacyclotriaconta-2,17-diene
  • dibenzo(b,q)(1,4,7,10,13,16,19,22,25,28)decaoxacyclotriacontin, 6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydro-
  • dibenzo-30-crown-10
CAS Number(s)
  • 17455-25-3
InChIKey MXCSCGGRLMRZMF-UHFFFAOYSA-N
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