2-(pent-4-en-1-yl)oxirane | SBID = 702 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C7H12O
M / g/mol: 112.16958
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 2-(pent-4-en-1-yl)oxirane
  • Preferred Abbreviation: 2-(pent-4-en-1-yl)oxirane
  • IUPAC Name:
  • CAS:
  • CID: -198
  • InChiKey: KCCIMXJIZJBZPX-UHFFFAOYSA-N
  • InChi: InChI=1S/C7H12O/c1-2-3-4-5-7-6-8-7/h2,7H,1,3-6H2
  • CanoSmiles: C=CCCCC1CO1
  • IsoSmiles: C=CCCCC1CO1