Phenoxy-1,2-dioxetane | SBID = 2204 | Compound | Custom Molecule

Struc Structure

Download Image

Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2: 47.92
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 3.05
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C18H22O4
M / g/mol: 302.36488
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Phenoxy-1,2-dioxetane
  • Preferred Abbreviation: DX
  • IUPAC Name:
  • CAS:
  • CID: -975
  • InChiKey: RVRTXMFVLYHVQX-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H22O4/c1-20-18(13-3-2-4-16(19)10-13)17(21-22-18)14-6-11-5-12(8-14)9-15(17)7-11/h2-4,10-12,14-15,19H,5-9H2,1H3
  • CanoSmiles: COC1(OOC21[C@@H]1C[C@@H]3C[C@H]2C[C@H](C1)C3)c1cccc(c1)O
  • IsoSmiles: OC1=CC=CC(C2(OC)OOC32[C@@H](C4)C[C@H]5C[C@@H]4C[C@@H]3C5)=C1